Steroids and derivatives
Progesterone, 98%, Thermo Scientific Chemicals
CAS: 57-83-0 Molecular Formula: C21H30O2 Molecular Weight (g/mol): 314.46 MDL Number: MFCD00003658 InChI Key: RJKFOVLPORLFTN-LEKSSAKUSA-N Synonym: progesterone,agolutin,luteohormone,pregn-4-ene-3,20-dione,crinone,4-pregnene-3,20-dione,corpus luteum hormone,progestin,syngesterone,utrogestan PubChem CID: 5994 ChEBI: CHEBI:17026 IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Mifepristone, 98%, Thermo Scientific Chemicals
CAS: 84371-65-3 Molecular Formula: C29H35NO2 Molecular Weight (g/mol): 429.59 InChI Key: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonym: mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish PubChem CID: 55245 ChEBI: CHEBI:50692 IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Calciferol, 97%, Thermo Scientific Chemicals
CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Norethisterone, Thermo Scientific Chemicals
CAS: 68-22-4 Molecular Formula: C20H26O2 Molecular Weight (g/mol): 298.42 InChI Key: VIKNJXKGJWUCNN-XGXHKTLJSA-N Synonym: norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone PubChem CID: 6230 ChEBI: CHEBI:7627 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
(+)-Dehydroisoandrosterone, 99%, Thermo Scientific Chemicals
CAS: 53-43-0 Molecular Formula: C19H28O2 Molecular Weight (g/mol): 288.42 MDL Number: MFCD00003613 InChI Key: FMGSKLZLMKYGDP-USOAJAOKSA-N Synonym: dehydroepiandrosterone,dhea,prasterone,dehydroisoandrosterone,androstenolone,trans-dehydroandrosterone,3beta-hydroxyandrost-5-en-17-one,diandron,diandrone,psicosterone PubChem CID: 5881 ChEBI: CHEBI:28689 IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
Ethinylestradiol, 98%, Thermo Scientific Chemicals
CAS: 57-63-6 Molecular Formula: C20H24O2 Molecular Weight (g/mol): 296.41 MDL Number: MFCD00003690 InChI Key: BFPYWIDHMRZLRN-SLHNCBLASA-N Synonym: ethinyl estradiol,ethynylestradiol,ethynyl estradiol,ethinylestradiol,ethinyloestradiol,ginestrene,17-ethinylestradiol,progynon c,ethinoral,eticyclin PubChem CID: 5991 ChEBI: CHEBI:4903 IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@]2(O)C#C
Chenodeoxycholic acid, Thermo Scientific Chemicals
CAS: 474-25-9 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00064142 InChI Key: RUDATBOHQWOJDD-BSWAIDMHSA-N Synonym: chenodexycholic acid,chenodeoxycholate anion,chenodeoxycholate 1-,3alpha, 7alpha-dihydroxy-5beta-cholanic acid,3alpha,7alpha-dihydroxy-5beta-cholan-24-oate,3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid anion,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-10,13-dimethyl-3,7-bis oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate,4r-4-3r,5s,7r,8r,9s,10s,13r,14s,17r-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta a phenanthren-17-yl pentanoate PubChem CID: 9548590 ChEBI: CHEBI:36234 IUPAC Name: (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Dexamethasone acetate, Thermo Scientific Chemicals
CAS: 1177-87-3 Molecular Formula: C24H31FO6 Molecular Weight (g/mol): 434.50 MDL Number: MFCD00027407 InChI Key: AKUJBENLRBOFTD-RPRRAYFGSA-N Synonym: dexamethasone acetate,11b,16a-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate PubChem CID: 40469526 IUPAC Name: 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
Prednisolone, 99%, Thermo Scientific Chemicals
CAS: 50-24-8 Molecular Formula: C21H28O5 Molecular Weight (g/mol): 360.44 InChI Key: OIGNJSKKLXVSLS-VWUMJDOOSA-N Synonym: prednisolone,metacortandralone,hydroretrocortine,predonine,deltacortril,meticortelone,deltahydrocortisone,prenolone,hydroretrocortin,delta-cortef PubChem CID: 5755 ChEBI: CHEBI:8378 IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
Dexamethasone, 96%, Thermo Scientific Chemicals
CAS: 50-02-2 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.47 MDL Number: MFCD00064136 InChI Key: UREBDLICKHMUKA-CXSFZGCWSA-N Synonym: dexamethasone,decadron,dexamethazone,maxidex,decaspray,desametasone,hexadecadrol,dexacort,dexasone,hexadrol PubChem CID: 5743 ChEBI: CHEBI:41879 SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Fluocinolone acetonide, Thermo Scientific Chemicals
CAS: 67-73-2 Molecular Formula: C24H30F2O6 Molecular Weight (g/mol): 452.50 MDL Number: MFCD00010525 InChI Key: FEBLZLNTKCEFIT-VSXGLTOVSA-N Synonym: fluocinolone acetonide,synalar,flucinar,synandone,fluonid,jellin,synamol,synemol,coriphate,fluovitif PubChem CID: 6215 ChEBI: CHEBI:31623 IUPAC Name: (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Estrone, 99+%, Thermo Scientific Chemicals
CAS: 53-16-7 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.36 InChI Key: DNXHEGUUPJUMQT-CBZIJGRNSA-N Synonym: estrone,folliculin,oestrone,theelin,estrovarin,estrugenone,follicular hormone,kestrone,estron,follicunodis PubChem CID: 5870 ChEBI: CHEBI:17263 IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
Canrenone, 97%, Spectrum™ Chemical
CAS: 976-71-6 Molecular Formula: C22H28O3 Molecular Weight (g/mol): 340.46 InChI Key: UJVLDDZCTMKXJK-UHFFFAOYNA-N IUPAC Name: 9a,11a-dimethyl-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione SMILES: CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
Sodium cholate hydrate, 99%, Thermo Scientific Chemicals
CAS: 206986-87-0 Molecular Formula: C24H39NaO5 Molecular Weight (g/mol): 430.56 MDL Number: MFCD00064138 MFCD00003672 InChI Key: NRHMKIHPTBHXPF-TUJRSCDTSA-M PubChem CID: 23679061 IUPAC Name: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C