Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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PubChem CID	6904
CAS	87-79-6
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:13172
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name	(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula	C6H12O6

Quinizarin 97.0+%, TCI America™

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

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PubChem CID	6688
CAS	81-64-1
Molecular Weight (g/mol)	240.214
ChEBI	CHEBI:37487
MDL Number	MFCD00001209
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym	quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name	1,4-dihydroxyanthracene-9,10-dione
InChI Key	GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula	C14H8O4

Phenacyl Bromide 98.0+%, TCI America™

CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr

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PubChem CID	6259
CAS	70-11-1
Molecular Weight (g/mol)	199.047
ChEBI	CHEBI:51846
MDL Number	MFCD00000195
SMILES	C1=CC=C(C=C1)C(=O)CBr
Synonym	2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo
IUPAC Name	2-bromo-1-phenylethanone
InChI Key	LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula	C8H7BrO

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PubChem CID	6688
CAS	81-64-1
Molecular Weight (g/mol)	240.214
ChEBI	CHEBI:37487
MDL Number	MFCD00001209
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym	quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name	1,4-dihydroxyanthracene-9,10-dione
InChI Key	GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula	C14H8O4

4-Bromophenacyl Bromide 99.0+%, TCI America™

CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br

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PubChem CID	7454
CAS	99-73-0
Molecular Weight (g/mol)	277.943
MDL Number	MFCD00000200
SMILES	C1=CC(=CC=C1C(=O)CBr)Br
Synonym	2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene
IUPAC Name	2-bromo-1-(4-bromophenyl)ethanone
InChI Key	FKJSFKCZZIXQIP-UHFFFAOYSA-N
Molecular Formula	C8H6Br2O

Dyclonine Hydrochloride 98.0+%, TCI America™

CAS: 536-43-6 Molecular Formula: C18H28ClNO2 Molecular Weight (g/mol): 325.88 MDL Number: MFCD00035386 InChI Key: KNZADIMHVBBPOA-UHFFFAOYSA-N Synonym: dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride PubChem CID: 68304 ChEBI: CHEBI:4725 IUPAC Name: hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride SMILES: [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1

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PubChem CID	68304
CAS	536-43-6
Molecular Weight (g/mol)	325.88
ChEBI	CHEBI:4725
MDL Number	MFCD00035386
SMILES	[H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1
Synonym	dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride
IUPAC Name	hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride
InChI Key	KNZADIMHVBBPOA-UHFFFAOYSA-N
Molecular Formula	C18H28ClNO2

L-Kynurenine Hydrate 98.0+%, TCI America™

CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O

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Specifications

PubChem CID	161166
CAS	2922-83-0
Molecular Weight (g/mol)	208.22
ChEBI	CHEBI:16946
MDL Number	MFCD00069912
SMILES	N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
Synonym	l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid
IUPAC Name	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
InChI Key	YGPSJZOEDVAXAB-QMMMGPOBSA-N
Molecular Formula	C10H12N2O3

3-(Dimethylamino)propiophenone Hydrochloride 98.0+%, TCI America™

CAS: 879-72-1 Molecular Formula: C11H16ClNO Molecular Weight (g/mol): 213.705 MDL Number: MFCD00012481 InChI Key: DKNDBIIKSJWQFL-UHFFFAOYSA-N Synonym: 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh PubChem CID: 92844 IUPAC Name: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride SMILES: CN(C)CCC(=O)C1=CC=CC=C1.Cl

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PubChem CID	92844
CAS	879-72-1
Molecular Weight (g/mol)	213.705
MDL Number	MFCD00012481
SMILES	CN(C)CCC(=O)C1=CC=CC=C1.Cl
Synonym	3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh
IUPAC Name	3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
InChI Key	DKNDBIIKSJWQFL-UHFFFAOYSA-N
Molecular Formula	C11H16ClNO

1,5-Dibromoanthraquinone 93.0+%, TCI America™

CAS: 602-77-7 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.008 InChI Key: SRRLOAAMZYZYQY-UHFFFAOYSA-N PubChem CID: 639109 IUPAC Name: 1,5-dibromoanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br

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PubChem CID	639109
CAS	602-77-7
Molecular Weight (g/mol)	366.008
SMILES	C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br
IUPAC Name	1,5-dibromoanthracene-9,10-dione
InChI Key	SRRLOAAMZYZYQY-UHFFFAOYSA-N
Molecular Formula	C14H6Br2O2

1-Hydroxyanthraquinone 98.0+%, TCI America™

CAS: 129-43-1 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.215 MDL Number: MFCD00058946 InChI Key: BTLXPCBPYBNQNR-UHFFFAOYSA-N PubChem CID: 8512 ChEBI: CHEBI:28877 IUPAC Name: 1-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O

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Specifications

PubChem CID	8512
CAS	129-43-1
Molecular Weight (g/mol)	224.215
ChEBI	CHEBI:28877
MDL Number	MFCD00058946
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O
IUPAC Name	1-hydroxyanthracene-9,10-dione
InChI Key	BTLXPCBPYBNQNR-UHFFFAOYSA-N
Molecular Formula	C14H8O3

Aloe Emodin 97.0+%, TCI America™

CAS: 481-72-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017373 InChI Key: YDQWDHRMZQUTBA-UHFFFAOYSA-N Synonym: 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone PubChem CID: 10207 ChEBI: CHEBI:2607 IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O

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Specifications

PubChem CID	10207
CAS	481-72-1
Molecular Weight (g/mol)	270.24
ChEBI	CHEBI:2607
MDL Number	MFCD00017373
SMILES	C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
Synonym	1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone
IUPAC Name	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
InChI Key	YDQWDHRMZQUTBA-UHFFFAOYSA-N
Molecular Formula	C15H10O5

1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt 98.0+%, TCI America™

CAS: 6258-06-6 Molecular Formula: C14H7BrNNaO5S Molecular Weight (g/mol): 404.17 MDL Number: MFCD00019160 InChI Key: TXMRAEGWZZVGIH-UHFFFAOYSA-M Synonym: Bromaminic Acid Sodium Salt PubChem CID: 5076555 IUPAC Name: sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]

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Specifications

PubChem CID	5076555
CAS	6258-06-6
Molecular Weight (g/mol)	404.17
MDL Number	MFCD00019160
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]
Synonym	Bromaminic Acid Sodium Salt
IUPAC Name	sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate
InChI Key	TXMRAEGWZZVGIH-UHFFFAOYSA-M
Molecular Formula	C14H7BrNNaO5S

Pipamperone 98.0+%, TCI America™

CAS: 1893-33-0 Molecular Formula: C21H30FN3O2 Molecular Weight (g/mol): 375.488 MDL Number: MFCD00242979 InChI Key: AXKPFOAXAHJUAG-UHFFFAOYSA-N Synonym: Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide PubChem CID: 4830 ChEBI: CHEBI:78549 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide SMILES: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

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Specifications

PubChem CID	4830
CAS	1893-33-0
Molecular Weight (g/mol)	375.488
ChEBI	CHEBI:78549
MDL Number	MFCD00242979
SMILES	C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
Synonym	Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide
IUPAC Name	1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
InChI Key	AXKPFOAXAHJUAG-UHFFFAOYSA-N
Molecular Formula	C21H30FN3O2

Purpurin 95.0+%, TCI America™

CAS: 81-54-9 Molecular Formula: C14H8O5 Molecular Weight (g/mol): 256.213 MDL Number: MFCD00001203 InChI Key: BBNQQADTFFCFGB-UHFFFAOYSA-N Synonym: purpurin,1,2,4-trihydroxyanthraquinone,purpurine,verantin,hydroxylizaric acid,smoke brown g,1,2,4-trihydroxy-9,10-anthracenedione,1,2,4-trihydroxy-9,10-anthraquinone,1,2,4-trihydroxyanthrachinon,9,10-anthracenedione, 1,2,4-trihydroxy PubChem CID: 6683 ChEBI: CHEBI:8645 IUPAC Name: 1,2,4-trihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O

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Specifications

PubChem CID	6683
CAS	81-54-9
Molecular Weight (g/mol)	256.213
ChEBI	CHEBI:8645
MDL Number	MFCD00001203
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
Synonym	purpurin,1,2,4-trihydroxyanthraquinone,purpurine,verantin,hydroxylizaric acid,smoke brown g,1,2,4-trihydroxy-9,10-anthracenedione,1,2,4-trihydroxy-9,10-anthraquinone,1,2,4-trihydroxyanthrachinon,9,10-anthracenedione, 1,2,4-trihydroxy
IUPAC Name	1,2,4-trihydroxyanthracene-9,10-dione
InChI Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
Molecular Formula	C14H8O5

(S)-Trichostatic Acid 98.0+%, TCI America™

CAS: 68690-19-7 Molecular Formula: C17H21NO3 Molecular Weight (g/mol): 287.359 InChI Key: VKEITMNFEJHFCX-LEJRBOCMSA-N Synonym: (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid PubChem CID: 14100757 ChEBI: CHEBI:39159 IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid SMILES: CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C

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Specifications

PubChem CID	14100757
CAS	68690-19-7
Molecular Weight (g/mol)	287.359
ChEBI	CHEBI:39159
SMILES	CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C
Synonym	(S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid
IUPAC Name	(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
InChI Key	VKEITMNFEJHFCX-LEJRBOCMSA-N
Molecular Formula	C17H21NO3

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