piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Basic information
- CAS
6266-73-5- Standard SMILES
C1CNCCN1.CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C- InChIKey
GQCPPZBFHGESNJ-UHFFFAOYSA-N- Molecular formula
- C28H50N2O5
- Average molar mass
- 494.7 g/mol
- Monoisotopic mass
- 494.3719727
Names & identifiers
- Preferred name
- piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- IUPAC
- piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Names & synonyms
NSC36819MLS002608004SMR0015267603,7,12-trihydroxycholan-24-oic acid compound with piperazine (1:1)
Database identifiers
- CAS
6266-73-5- PubChem CID
- 235441
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 663
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Compound notes
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