5alpha-Hydroxy-6beta-(4-aminobutylamino)-cholestan-3beta-ol

HCID 44598421
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Basic information

Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](NCCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
JWAFAAMANYWGHR-VWTROAGRSA-N
Molecular formula
C31H58N2O2
Average molar mass
490.8 g/mol

Names & identifiers

Preferred name
5alpha-Hydroxy-6beta-(4-aminobutylamino)-cholestan-3beta-ol
IUPAC
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-(4-aminobutylamino)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol

Names & synonyms

CHEMBL566448SCHEMBL16163558JWAFAAMANYWGHR-VWTROAGRSA-N5alpha-Hydroxy-6beta-(4-aminobutylamino)-cholestan-3beta-ol

Database identifiers

PubChem CID
44598421
ChEMBL
CHEMBL566448

Properties

Computed structural properties

XLogP
7
Topological polar surface area
78.5 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
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Compound notes

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