Basic information
- Standard SMILES
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5- InChIKey
DQCKKXVULJGBQN-UWFFTQNDSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- Naltrexone Base
- IUPAC
- (4R,4aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Names & synonyms
Naltrexone BaseMLS002320738SCHEMBL117278SCHEMBL29987503DQCKKXVULJGBQN-UWFFTQNDSA-NSMR001338884
Database identifiers
- PubChem CID
- 21159611
- Nikkaji
- J2.781.417D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 621
Related reactions
13 records
Compound notes
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