Steroids and derivatives

Steroids and derivatives
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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
PubChem CID | 23679061 |
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CAS | 206986-87-0 |
Molecular Weight (g/mol) | 430.56 |
MDL Number | MFCD00064138 MFCD00003672 |
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 |
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 |
InChI Key | NRHMKIHPTBHXPF-TUJRSCDTSA-M |
Molecular Formula | C24H39NaO5 |
4-Cholesten-3-one, 98+%
CAS: 601-57-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00003663 InChI Key: NYOXRYYXRWJDKP-GYKMGIIDSA-N Synonym: 4-cholesten-3-one,cholest-4-en-3-one,cholestenone,3-oxocholest-4-ene,delta sup 4-cholestenone,+-4-cholesten-3-one,unii-7t94nhd99c,3-oxo-4-cholestene,3-keto-4-cholestene,cholestenone delta 4 PubChem CID: 91477 ChEBI: CHEBI:16175 IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
PubChem CID | 91477 |
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CAS | 601-57-0 |
Molecular Weight (g/mol) | 384.648 |
ChEBI | CHEBI:16175 |
MDL Number | MFCD00003663 |
SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
Synonym | 4-cholesten-3-one,cholest-4-en-3-one,cholestenone,3-oxocholest-4-ene,delta sup 4-cholestenone,+-4-cholesten-3-one,unii-7t94nhd99c,3-oxo-4-cholestene,3-keto-4-cholestene,cholestenone delta 4 |
IUPAC Name | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
InChI Key | NYOXRYYXRWJDKP-GYKMGIIDSA-N |
Molecular Formula | C27H44O |
Hydrocortisone, 98%
CAS: 50-23-7 Molecular Formula: C21H30O5 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril PubChem CID: 5754 ChEBI: CHEBI:17650
PubChem CID | 5754 |
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CAS | 50-23-7 |
ChEBI | CHEBI:17650 |
MDL Number | MFCD00011654 |
Synonym | hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril |
InChI Key | JYGXADMDTFJGBT-VWUMJDOOSA-N |
Molecular Formula | C21H30O5 |
Chenodeoxycholic Acid, British Pharmacopoeia (BP) Reference Standard, MilliporeSigmaâ„¢ Supelcoâ„¢
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
Thermo Scientific Chemicals Vitamin D3, 99%
CAS: 67-97-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00078131 InChI Key: QYSXJUFSXHHAJI-YRZJJWOYSA-N Synonym: vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum PubChem CID: 5280795 ChEBI: CHEBI:28940 IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
PubChem CID | 5280795 |
---|---|
CAS | 67-97-0 |
Molecular Weight (g/mol) | 384.648 |
ChEBI | CHEBI:28940 |
MDL Number | MFCD00078131 |
SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
Synonym | vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum |
IUPAC Name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
InChI Key | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
Molecular Formula | C27H44O |
Thermo Scientific Chemicals Betamethasone, 97%
CAS: 378-44-9 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.46 InChI Key: UREBDLICKHMUKA-DVTGEIKXSA-N Synonym: betamethasone,betadexamethasone,flubenisolone,celestone,betamethazone,rinderon,betacorlan,betacortril,betamamallet,betametasone PubChem CID: 9782 ChEBI: CHEBI:3077 IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
PubChem CID | 9782 |
---|---|
CAS | 378-44-9 |
Molecular Weight (g/mol) | 392.46 |
ChEBI | CHEBI:3077 |
SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C |
Synonym | betamethasone,betadexamethasone,flubenisolone,celestone,betamethazone,rinderon,betacorlan,betacortril,betamamallet,betametasone |
IUPAC Name | (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
InChI Key | UREBDLICKHMUKA-DVTGEIKXSA-N |
Molecular Formula | C22H29FO5 |
CAS | 6990-06-3 |
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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
PubChem CID | 55245 |
---|---|
CAS | 84371-65-3 |
Molecular Weight (g/mol) | 429.59 |
ChEBI | CHEBI:50692 |
SMILES | CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O |
Synonym | mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish |
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 |
InChI Key | VKHAHZOOUSRJNA-GCNJZUOMSA-N |
Molecular Formula | C29H35NO2 |
11-Deoxycorticosterone acetate, 97%, Thermo Scientific Chemicals
CAS: 56-47-3 Molecular Formula: C23H32O4 Molecular Weight (g/mol): 372.51 MDL Number: MFCD00003660 InChI Key: VPGRYOFKCNULNK-ZIUYWEQENA-N Synonym: deoxycorticosterone acetate,desoxycorticosterone acetate,doca,desoxycortone acetate,percotol,cortexone acetate,decosteron,decosterone,sincortex,syncortyl PubChem CID: 5952 ChEBI: CHEBI:34671 SMILES: [H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
PubChem CID | 5952 |
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CAS | 56-47-3 |
Molecular Weight (g/mol) | 372.51 |
ChEBI | CHEBI:34671 |
MDL Number | MFCD00003660 |
SMILES | [H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |
Synonym | deoxycorticosterone acetate,desoxycorticosterone acetate,doca,desoxycortone acetate,percotol,cortexone acetate,decosteron,decosterone,sincortex,syncortyl |
InChI Key | VPGRYOFKCNULNK-ZIUYWEQENA-N |
Molecular Formula | C23H32O4 |
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
PubChem CID | 5991 |
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CAS | 57-63-6 |
Molecular Weight (g/mol) | 296.41 |
ChEBI | CHEBI:4903 |
MDL Number | MFCD00003690 |
SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@]2(O)C#C |
Synonym | ethinyl estradiol,ethynylestradiol,ethynyl estradiol,ethinylestradiol,ethinyloestradiol,ginestrene,17-ethinylestradiol,progynon c,ethinoral,eticyclin |
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 |
InChI Key | BFPYWIDHMRZLRN-SLHNCBLASA-N |
Molecular Formula | C20H24O2 |
Thermo Scientificâ„¢ Hydrocortisone butyrate
CAS: 13609-67-1 Molecular Formula: C25H36O6 Molecular Weight (g/mol): 432.56 InChI Key: BMCQMVFGOVHVNG-TUFAYURCSA-N IUPAC Name: (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate SMILES: CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
CAS | 13609-67-1 |
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Molecular Weight (g/mol) | 432.56 |
SMILES | CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |
IUPAC Name | (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate |
InChI Key | BMCQMVFGOVHVNG-TUFAYURCSA-N |
Molecular Formula | C25H36O6 |
Thermo Scientificâ„¢ Estradiene dione
CAS: 5571-36-8 Molecular Formula: C20H26O3 Molecular Weight (g/mol): 314.43 InChI Key: XUOQKQRMICQUQC-UHFFFAOYNA-N IUPAC Name: 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one SMILES: CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
CAS | 5571-36-8 |
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Molecular Weight (g/mol) | 314.43 |
SMILES | CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O |
IUPAC Name | 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one |
InChI Key | XUOQKQRMICQUQC-UHFFFAOYNA-N |
Molecular Formula | C20H26O3 |
Canrenone, 98%
CAS: 976-71-6 Molecular Formula: C22H28O3 Molecular Weight (g/mol): 340.463 MDL Number: MFCD00071735 InChI Key: UJVLDDZCTMKXJK-WNHSNXHDSA-N Synonym: canrenone,aldadiene,phanurane,luvion,aldadiene van,canrenone usan:inn,canrenonum inn-latin,canrenona inn-spanish,unii-78o20x9j0u,17alpha-2-carboxyethyl-17beta-hydroxyandrosta-4,6-dien-3-one lactone PubChem CID: 13789 IUPAC Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione SMILES: CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
PubChem CID | 13789 |
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CAS | 976-71-6 |
Molecular Weight (g/mol) | 340.463 |
MDL Number | MFCD00071735 |
SMILES | CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C |
Synonym | canrenone,aldadiene,phanurane,luvion,aldadiene van,canrenone usan:inn,canrenonum inn-latin,canrenona inn-spanish,unii-78o20x9j0u,17alpha-2-carboxyethyl-17beta-hydroxyandrosta-4,6-dien-3-one lactone |
IUPAC Name | (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione |
InChI Key | UJVLDDZCTMKXJK-WNHSNXHDSA-N |
Molecular Formula | C22H28O3 |
Sodium taurocholate hydrate, 96%
CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
PubChem CID | 131632374 |
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CAS | 345909-26-4 |
Molecular Weight (g/mol) | 537.688 |
MDL Number | MFCD00150819 |
SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |
Synonym | sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid |
IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]pentanoyl]amino]ethanesulfonate |
InChI Key | JAJWGJBVLPIOOH-VXFFEJGCSA-M |
Molecular Formula | C26H44NNaO7S |