Basic information
- CAS
62767-48-0- Standard SMILES
Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C[C@@H]2CCCO2)[C@H]1O5- InChIKey
VSSSUJQGBBHOLO-MUBRONSNSA-N- Molecular formula
- C21H26ClNO5
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1499506
Names & identifiers
- Preferred name
- Mr 2097-CL
- IUPAC
- (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-[[(2S)-oxolan-2-yl]methyl]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Names & synonyms
Mr 2097-CL(-)-N-((S)-Tetrahydrofurfuryl)noroxymorphone hydrochloride62767-48-0Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-((tetrahydro-2-furanyl)methyl)-, hydrochloride, (5-alpha,17(S))-DTXSID60211837RefChem:357951DTXCID90134328CHEMBL32520543,14-Dihydroxy-17-{[(2S)-oxolan-2-yl]methyl}-5alpha-4,5-epoxymorphinan-6-one--hydrogen chloride (1/1)
Database identifiers
- CAS
62767-48-0- PubChem CID
- 5745656
- DTXSID
DTXSID60211837- ChEMBL
CHEMBL3252054
Properties
Computed structural properties
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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