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Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.
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1 – 15 de 81 résultats
1

Thermo Scientific Chemicals Levonorgestrel, 98%

CAS: 797-63-7 Formule moléculaire: C21H28O2 Poids moléculaire (g/mol): 312.45 Clé InChI: WWYNJERNGUHSAO-XUDSTZEESA-N Synonyme: levonorgestrel,norgestrel,d-norgestrel,--norgestrel,levonova,microval,postinor,mirena,plan b,jadelle CID PubChem: 13109 ChEBI: CHEBI:6443 Nom IUPAC: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

Poids moléculaire (g/mol) 312.45
Synonyme levonorgestrel,norgestrel,d-norgestrel,--norgestrel,levonova,microval,postinor,mirena,plan b,jadelle
CAS 797-63-7
CID PubChem 13109
ChEBI CHEBI:6443
Nom IUPAC (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Clé InChI WWYNJERNGUHSAO-XUDSTZEESA-N
SMILES CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Formule moléculaire C21H28O2
2

Ethinylestradiol, 98%, Thermo Scientific Chemicals

CAS: 57-63-6 Formule moléculaire: C20H24O2 Poids moléculaire (g/mol): 296.41 Numéro MDL: MFCD00003690 Clé InChI: BFPYWIDHMRZLRN-SLHNCBLASA-N Synonyme: ethinyl estradiol,ethynylestradiol,ethynyl estradiol,ethinylestradiol,ethinyloestradiol,ginestrene,17-ethinylestradiol,progynon c,ethinoral,eticyclin CID PubChem: 5991 ChEBI: CHEBI:4903 Nom IUPAC: (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

Poids moléculaire (g/mol) 296.41
Synonyme ethinyl estradiol,ethynylestradiol,ethynyl estradiol,ethinylestradiol,ethinyloestradiol,ginestrene,17-ethinylestradiol,progynon c,ethinoral,eticyclin
Numéro MDL MFCD00003690
CAS 57-63-6
CID PubChem 5991
ChEBI CHEBI:4903
Nom IUPAC (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
Clé InChI BFPYWIDHMRZLRN-SLHNCBLASA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@]2(O)C#C
Formule moléculaire C20H24O2
3

Thermo Scientific Chemicals Estradiene dione

CAS: 5571-36-8 Formule moléculaire: C20H26O3 Poids moléculaire (g/mol): 314.43 Clé InChI: XUOQKQRMICQUQC-UHFFFAOYNA-N Nom IUPAC: 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

Poids moléculaire (g/mol) 314.43
CAS 5571-36-8
Nom IUPAC 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
Clé InChI XUOQKQRMICQUQC-UHFFFAOYNA-N
SMILES CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
Formule moléculaire C20H26O3
4

Thermo Scientific Chemicals Hydrocortisone butyrate

CAS: 13609-67-1 Formule moléculaire: C25H36O6 Poids moléculaire (g/mol): 432.56 Clé InChI: BMCQMVFGOVHVNG-TUFAYURCSA-N Nom IUPAC: (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

Poids moléculaire (g/mol) 432.56
CAS 13609-67-1
Nom IUPAC (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
Clé InChI BMCQMVFGOVHVNG-TUFAYURCSA-N
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
Formule moléculaire C25H36O6
5

Thermo Scientific Chemicals Megestrol acetate

CAS: 595-33-5 Poids moléculaire (g/mol): 384.52 Clé InChI: RQZAXGRLVPAYTJ-GQFGMJRRSA-N Nom IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate SMILES: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

Poids moléculaire (g/mol) 384.52
CAS 595-33-5
Nom IUPAC (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Clé InChI RQZAXGRLVPAYTJ-GQFGMJRRSA-N
SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
6

Thermo Scientific Chemicals Finasteride, 98%

CAS: 98319-26-7 Formule moléculaire: C23H36N2O2 Poids moléculaire (g/mol): 372.54 Clé InChI: DBEPLOCGEIEOCV-WSBQPABSSA-N Synonyme: finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin CID PubChem: 57363 ChEBI: CHEBI:5062 Nom IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

Poids moléculaire (g/mol) 372.54
Synonyme finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin
CAS 98319-26-7
CID PubChem 57363
ChEBI CHEBI:5062
Nom IUPAC (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Clé InChI DBEPLOCGEIEOCV-WSBQPABSSA-N
SMILES CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
Formule moléculaire C23H36N2O2
7

Mifepristone, 98%, Thermo Scientific Chemicals

CAS: 84371-65-3 Formule moléculaire: C29H35NO2 Poids moléculaire (g/mol): 429.59 Clé InChI: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonyme: mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish CID PubChem: 55245 ChEBI: CHEBI:50692 Nom IUPAC: (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

Poids moléculaire (g/mol) 429.59
Synonyme mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish
CAS 84371-65-3
CID PubChem 55245
ChEBI CHEBI:50692
Nom IUPAC (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
Clé InChI VKHAHZOOUSRJNA-GCNJZUOMSA-N
SMILES CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Formule moléculaire C29H35NO2
8

11-Deoxycorticosterone acetate, 97%, Thermo Scientific Chemicals

CAS: 56-47-3 Formule moléculaire: C23H32O4 Poids moléculaire (g/mol): 372.51 Numéro MDL: MFCD00003660 Clé InChI: VPGRYOFKCNULNK-ZIUYWEQENA-N Synonyme: deoxycorticosterone acetate,desoxycorticosterone acetate,doca,desoxycortone acetate,percotol,cortexone acetate,decosteron,decosterone,sincortex,syncortyl CID PubChem: 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

Poids moléculaire (g/mol) 372.51
Synonyme deoxycorticosterone acetate,desoxycorticosterone acetate,doca,desoxycortone acetate,percotol,cortexone acetate,decosteron,decosterone,sincortex,syncortyl
Numéro MDL MFCD00003660
CAS 56-47-3
CID PubChem 5952
ChEBI CHEBI:34671
Clé InChI VPGRYOFKCNULNK-ZIUYWEQENA-N
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
Formule moléculaire C23H32O4
9

Estriol, 97%, Thermo Scientific Chemicals

CAS: 50-27-1 Formule moléculaire: C18H24O3 Poids moléculaire (g/mol): 288.38 Clé InChI: PROQIPRRNZUXQM-ZXXIGWHRSA-N Synonyme: estriol,oestriol,estratriol,ovestin,ovestrion,trihydroxyestrin,destriol,tridestrin,aacifemine,oestratriol CID PubChem: 5756 ChEBI: CHEBI:27974 Nom IUPAC: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

Poids moléculaire (g/mol) 288.38
Synonyme estriol,oestriol,estratriol,ovestin,ovestrion,trihydroxyestrin,destriol,tridestrin,aacifemine,oestratriol
CAS 50-27-1
CID PubChem 5756
ChEBI CHEBI:27974
Nom IUPAC (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Clé InChI PROQIPRRNZUXQM-ZXXIGWHRSA-N
SMILES CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
Formule moléculaire C18H24O3
10

Thermo Scientific Chemicals Flumethasone

CAS: 2135-17-3 Formule moléculaire: C22H28F2O5 Poids moléculaire (g/mol): 410.46 Clé InChI: WXURHACBFYSXBI-GQKYHHCASA-N Nom IUPAC: (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Poids moléculaire (g/mol) 410.46
CAS 2135-17-3
Nom IUPAC (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Clé InChI WXURHACBFYSXBI-GQKYHHCASA-N
SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Formule moléculaire C22H28F2O5
12

4-Cholesten-3-one, 98+%

CAS: 601-57-0 Formule moléculaire: C27H44O Poids moléculaire (g/mol): 384.648 Numéro MDL: MFCD00003663 Clé InChI: NYOXRYYXRWJDKP-GYKMGIIDSA-N Synonyme: 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 CID PubChem: 91477 ChEBI: CHEBI:16175 Nom IUPAC: (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

Poids moléculaire (g/mol) 384.648
Synonyme 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
Numéro MDL MFCD00003663
CAS 601-57-0
CID PubChem 91477
ChEBI CHEBI:16175
Nom IUPAC (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
Clé InChI NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Formule moléculaire C27H44O
13

Calciferol

CAS: 50-14-6 Formule moléculaire: C28H44O Poids moléculaire (g/mol): 396.66 Numéro MDL: MFCD00166988,MFCD11656674 Clé InChI: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonyme: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina CID PubChem: 134129658 Nom IUPAC: (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

Poids moléculaire (g/mol) 396.66
Synonyme ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
Numéro MDL MFCD00166988,MFCD11656674
CAS 50-14-6
CID PubChem 134129658
Nom IUPAC (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
Clé InChI MECHNRXZTMCUDQ-VLOQVYPSSA-N
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
Formule moléculaire C28H44O
14

Thermo Scientific Chemicals Hydrocortisone, 98%

CAS: 50-23-7 Formule moléculaire: C21H30O5 Poids moléculaire (g/mol): 362.47 Numéro MDL: MFCD00011654 Clé InChI: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonyme: hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril CID PubChem: 5754 ChEBI: CHEBI:17650 Nom IUPAC: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

Poids moléculaire (g/mol) 362.47
Synonyme hydrocortisone,cortisol,acticort,cetacort,cortef,17-hydroxycorticosterone,hydrocortisyl,hydrasson,cobadex,cortril
Numéro MDL MFCD00011654
CAS 50-23-7
CID PubChem 5754
ChEBI CHEBI:17650
Nom IUPAC (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Clé InChI JYGXADMDTFJGBT-VWUMJDOOSA-N
SMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
Formule moléculaire C21H30O5
15

Sodium taurocholate hydrate, 96%

CAS: 345909-26-4 Formule moléculaire: C26H44NNaO7S Poids moléculaire (g/mol): 537.688 Numéro MDL: MFCD00150819 Clé InChI: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonyme: 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 CID PubChem: 131632374 Nom IUPAC: 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+]

Poids moléculaire (g/mol) 537.688
Synonyme 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
Numéro MDL MFCD00150819
CAS 345909-26-4
CID PubChem 131632374
Nom IUPAC 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
Clé InChI JAJWGJBVLPIOOH-VXFFEJGCSA-M
SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Formule moléculaire C26H44NNaO7S