N-Methylmorphine

HCID 61063

Basic information

Standard SMILES
C[N+]1(C)CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@@H]1C5
InChIKey
UJSDOZFJXZOOGN-YKRRISCLSA-O
Molecular formula
C18H22NO3+
Average molar mass
300.4 g/mol

Names & identifiers

Preferred name
N-Methylmorphine
IUPAC
(4S,4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol

Names & synonyms

N-Methylmorphine14168-11-7DTXSID10161797RefChem:1091957DTXCID4084288HNJ4VEK3VIMorphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethyl-, (5alpha,6alpha)-(4S,4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-dioln-methyl morphineSCHEMBL29400425UJSDOZFJXZOOGN-YKRRISCLSA-ONS00076169

Database identifiers

PubChem CID
61063

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
22

Related reactions

3 records

Compound notes

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