Basic information
- CAS
3664-90-2- Standard SMILES
C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
BXSPCFWJSALCFW-HVATVPOCSA-N- Molecular formula
- C24H42N2O2
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.32462859
Names & identifiers
- Preferred name
- 3-Hydroxycholan-24-ohydrazide
- IUPAC
- (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanehydrazide
Names & synonyms
3664-90-2NSC 731093-Hydroxycholan-24-ohydrazideNSC73109MLS002701910NSC-73109CHEMBL1981487NCI60_041596
Database identifiers
- CAS
3664-90-2- PubChem CID
- 252016
- ChEMBL
CHEMBL1981487
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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