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Basic information
- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C.Cl- InChIKey
FLPMACBGOBVPSK-GCSFWTCKSA-N- Molecular formula
- C27H48ClN
- Average molar mass
- 422.1 g/mol
- Monoisotopic mass
- 421.3475282
Names & identifiers
- Preferred name
- 3alpha-Aminocholest-5-ene hydrochloride
- IUPAC
- (3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;hydrochloride
Names & synonyms
SCHEMBL2549733FLPMACBGOBVPSK-GCSFWTCKSA-N3alpha-aminocholest-5-ene hydrochloride
Database identifiers
- PubChem CID
- 67448752
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
1 records
Compound notes
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