3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
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Grundinformationen
- CAS
13522-14-0- Standard-SMILES
C[C@]12C[C@H](N3CCCCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCCC3)C[C@@H]12- InChIKey
KUCISTFXMDQUHG-XMTFRXHISA-N- Summenformel
- C29H48N2O2
- Durchschnittliche Molmasse
- 456,7 g/mol
- Monoisotopische Masse
- 456,37157878
Namen und Bezeichner
- Bevorzugter Name
- 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
- IUPAC
- (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Namen und Synonyme
13522-14-0EINECS 236-865-8Vecuronium Bromide Impurity 7(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one2beta,16beta-Dipiperidino-5alpha-androstan-3alpha-ol-17-oneSCHEMBL9093395DTXSID70928909KUCISTFXMDQUHG-XMTFRXHISA-N3-Hydroxy-2,16-di(piperidin-1-yl)androstan-17-one2|A,16|A-Dipiperidino-5|A-androstan-3|A-ol-17-one3alpha-Hydroxy-2beta,16beta-di(piperidin-1-yl)-5alpha-androstan-17-one
Weitere Namen anzeigen
(2beta,3alpha,5alpha,16beta)-3-hydroxy-2,16-di-(1-piperidinyl)-androstan-17-one(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 744
Chemie und Industrie
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