(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanehydrazide
Grundinformationen
- CAS
96840-44-7- Standard-SMILES
C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
CDWNWTYHWHAIJV-LLQZFEROSA-N- Summenformel
- C24H42N2O3
- Durchschnittliche Molmasse
- 406,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanehydrazide
- IUPAC
- (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanehydrazide
- Englischer Name
- Hydrazine amide of deoxycholic acid
- Summenformel
- C24H42N2O3
- Molmasse
- 406.61
Namen und Synonyme
96840-44-7Deoxycholic acid impurity 93SCHEMBL21976397(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanehydrazide202-Z6DeoxycholicacidImpurityDeoxycholicacidImpurity12Chenodeoxycholic Acid Impurity 15Hydrazine amide of deoxycholic acid(3α,5β,12α)-3,12-Dihydroxy-cholan-24-oic Acid HydrazideCholan-24-oic acid, 3,12-dihydroxy-, hydrazide, (3α,5β,12α)-
Datenbank-Bezeichner
- CAS
96840-44-7- Nikkaji
- J1.082.071E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 95,6 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 627
Physikochemische Eigenschaften
- Siedepunkt
- 588.7 · 588.7±35.0 °C(Predicted)
- Dichte
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.35(Predicted)
Chemie und Industrie
Anwendungen
Verwenden(3α,5β,12α)-3,12-Dihydroxy-cholan-24-oic Acid Hydrazide is a useful reagent for condensation of bile acid hydrazides with carbonyl compounds. It can also be used to synthesize C-24 β-lactams of bile acids.
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