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Reference substances

Reference substances

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General information

Inventory

EC number:
204-084-1
EC name:
Thebaine
CAS number:
115-37-7

No inventory information available

Reference substance information

IUPAC name:
3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan
Synonyms
Names:
Identifier:
other: synonym
(-)-Thebaine
Identifier:
other: synonym
(5alpha)-6,7,8,14-Tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
Identifier:
other: synonym
Morphinan, 6,7,8,14-tetradehydro-4,5(alpha)-epoxy-3,6-dimethoxy-17-methyl-(8CI)
Identifier:
other: synonym
Morphinan-3-ol,6,7,8,14,tetradehydro-4,5(alpha) epoxy-6-methoxy17methyl
Identifier:
other: synonym
Paramorphine

CAS information

CAS number:
115-37-7

Molecular and structural information

Molecular formula:
C19H21NO3
Molecular weight:
311.375
SMILES notation:
COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45
InChl:
InChI=1/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
Structural formula:
Chemical structure