(3alpha,5alpha,20S)-3-Aminopregnan-20-ol
Basic information
- CAS
474-44-2- Standard SMILES
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
VIQFMADXQMGZER-CGVINKDUSA-N- Molecular formula
- C21H37NO
- Average molar mass
- 319.5 g/mol
- Monoisotopic mass
- 319.2875148
Names & identifiers
- Preferred name
- (3alpha,5alpha,20S)-3-Aminopregnan-20-ol
- IUPAC
- (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
- English name
- (20S)-3alpha-amino-5alpha-pregnan-20-ol
- Molecular formula
- C21H37NO
- Molecular weight
- 319.52458
Names & synonyms
474-44-2RefChem:1050131(3alpha,5alpha,20S)-3-Aminopregnan-20-olFuntumidine(20S)-3alpha-Amino-5alpha-pregnan-20-ol3-alpha-Aminoallopregnan-20-olEINECS 207-482-33-alpha-Amino-5-alpha-pregnan-20-alpha-olPregnan-20-ol, 3-amino-, (3-alpha,5-alpha,20S)-5-alpha-Pregnan-20-alpha-ol, 3-alpha-amino-SCHEMBL11070701DTXSID10275969
Show more names
(20S)-3α-Amino-5α-pregnan-20-ol(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-azanyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
NS00042433
Database identifiers
- CAS
474-44-2、50430-81-4- PubChem CID
- 101701
- DTXSID
DTXSID10275969- EC Number
- 207-482-3
- Nikkaji
- J69.126G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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