beta-Naltrexamine
Basic information
- CAS
67025-97-2- Standard SMILES
N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5- InChIKey
SPPAUICKSNQRNC-GNUVVZJLSA-N- Molecular formula
- C20H26N2O3
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1943427
Overview
structure given in first source
Names & identifiers
- Preferred name
- beta-Naltrexamine
- IUPAC
- (4R,4aS,7R,7aR,12bS)-7-amino-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- English name
- beta-naltrexamine
- Molecular formula
- C20H26N2O3
- Molecular weight
- 342.43204
Names & synonyms
beta-Naltrexamine67025-97-2DTXSID20217239Morphinan-3,14-diol, 6-amino-17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-RefChem:119464DTXCID70139730CHEMBL3249714b-NaltrexamineSPPAUICKSNQRNC-GNUVVZJLSA-NSCHEMBL7883984CHEMBL3303188BDBM50497034
Show more names
beta-Naltrexamine dihydrochloride, >=98% (HPLC)6beta-Amino-17-(cyclopropylmethyl)-5alpha-4,5-epoxymorphinan-3,14-diol
Database identifiers
- CAS
67025-97-2- PubChem CID
- 5486948
- DTXSID
DTXSID20217239- ChEMBL
CHEMBL3249714、CHEMBL3303188- Nikkaji
- J352.508B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 583
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Related reactions
1 records
Compound notes
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