Basic information
- CAS
3915-24-0- Standard SMILES
CC(C)CCN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PCLDERUMTJBTMY-MJHCCXMASA-N- Molecular formula
- C26H45NO
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.35011506
Overview
RN given refers to (3beta,20S)-isomer; RN in Chemline for (3beta,20R)-isomer:40521-33-3
Names & identifiers
- Preferred name
- 22-Azacholesterol
- IUPAC
- (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(3-methylbutylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 22-azacholesterol
- Molecular weight
- 387.64
Names & synonyms
22-Azacholesterol3915-24-0RefChem:89693CHEMBL5419969(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(3-methylbutylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSCHEMBL9522617DTXSID00959948Pregn-5-en-3-ol, 20-((3-methylbutyl)amino)-, (3beta,20S)-BDBM5061715620-[(3-Methylbutyl)amino]pregn-5-en-3-ol(20S)-20-[(3-Methylbutyl)amino]pregn-5-en-3beta-ol(3S,8S,9S,10R,13S,14S,17S)-17-((S)-1-(Isopentylamino)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Show more names
22-NHC >=98% (HPLC)
Database identifiers
- CAS
3915-24-0
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 487.987 · 487.987±18.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.013 · 1.013±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.026 · 15.026±0.70(predicted)
Chemistry & industry
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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