6-Isocodeine

HCID 2828
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Basic information

Standard SMILES
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
InChIKey
OROGSEYTTFOCAN-UHFFFAOYSA-N
Molecular formula
C18H21NO3
Average molar mass
299.4 g/mol

Overview

6-Isocodeine has been reported in Papaver somniferum with data available.

Names & identifiers

Preferred name
6-Isocodeine
IUPAC
9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Names & synonyms

6-Isocodeine9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-olRefChem:1991013-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-olOprea1_828621CHEMBL612012SCHEMBL10064330BDBM82266(5.alpha.,6.beta.)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-olMorphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-Morphinan-6.beta.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-
Show more names
OROGSEYTTFOCAN-UHFFFAOYSA-N1007844-34-9HQB84434PDSP1_001535PDSP2_001519AKOS040894257NSC_223652CAS_29485-83-4

Database identifiers

PubChem CID
2828
ChEMBL
CHEMBL612012

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
41.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22

Experimental & physicochemical properties

DrugsPharmaceuticals

Related reactions

6 records
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Linked notes

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