Basic information
- CAS
91265-68-8- Standard SMILES
O=C1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5- InChIKey
LJHOJDWHEHQATH-ILWKUFEGSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Overview
opioid receptor antagonist; RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- N-(Cyclopropylmethyl)normorphinone
- IUPAC
- (4R,4aR,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
- English name
- N-(cyclopropylmethyl)normorphinone
- Molecular formula
- C20H21NO3
- Molecular weight
- 323.38564
Names & synonyms
N-(Cyclopropylmethyl)normorphinoneN-Cpmnm91265-68-8RefChem:162339DTXSID60919866(4R,4aR,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one17-(Cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-one17-(Cyclopropylmethyl)-3-hydroxy-5alpha-7,8-didehydro-4,5-epoxymorphinan-6-oneMorphinan-6-one, 17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxy-3-hydroxy-, (5alpha)-
Database identifiers
- CAS
91265-68-8- PubChem CID
- 5486872
- DTXSID
DTXSID60919866
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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