3beta-Hydroxytibolone
Grundinformationen
- CAS
100239-45-0- Standard-SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C- InChIKey
YLEUWNOTNJZCBN-XAAPQAIWSA-N- Summenformel
- C21H30O2
- Durchschnittliche Molmasse
- 314,5 g/mol
- Monoisotopische Masse
- 314,2245802
Namen und Bezeichner
- Bevorzugter Name
- 3beta-Hydroxytibolone
- IUPAC
- (3S,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- Englischer Name
- 3BETA-HYDROXYTIBOLONE
- Summenformel
- C21H30O2
- Molmasse
- 314.46
Namen und Synonyme
3beta-hydroxytibolone100239-45-0DTXSID301315930RefChem:95702DTXCID001745809UNII-TEP8IU9GMR3b-Hydroxy Tibolone(3S,7R,8R,9S,13S,14S,17R)-17-Ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol3?-Hydroxy Tibolone(3S,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol3beta-Hydroxy Tibolone (1mg/ml in Acetonitrile)Tibolone impurity 2
Weitere Namen anzeigen
(3β,7α,17α)-3-HYDROXYTIBOLONE3b-Hydroxytibolone3β-Hydroxy Tibolone3SS-HYDROXYTIBOLONETibolone Impurity 15Methotrexate Impurity 3719-Norpregn-5(10)-en-20-yne-3,17-diol, 7-methyl-, (3β,7α,17α)-
3beta-Hydroxy TiboloneSCHEMBL81316813.BETA.-HYDROXYTIBOLONEYLEUWNOTNJZCBN-XAAPQAIWSA-N7alpha-Methyl-17alpha-19-norpregn-5(10)-en-20-yne-3beta,17-diol(3.BETA.,7.ALPHA.,17.ALPHA.)-7-METHYL-19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL, 7-METHYL-, (3.BETA.,7.ALPHA.,17.ALPHA.)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 596
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-169°C
- Siedepunkt
- 449.1 · 449.1±45.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- soluble in Chloroform, Ethyl Acetate
- Aggregatzustand
- Solid
- pka
- 13.1 · 13.10±0.70(Predicted)
- Farbe
- White to Off-White
- CAS Datenbank
- 100239 · 100239-45-0
Chemie und Industrie
Anwendungen
Verwenden3β-Hydroxy Tibolone is a metabolite of Tibolone. A synthetic steroid with weak estrogenic, androgenic and progestogenic activity. A pharamceutical used in the treatment of menopausal syndrome.
Anbieter16 Anbieter
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上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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