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Reference substances

Reference substances

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General information

Inventory

EC number:
305-572-8
EC name:
6,7,8,14-tetradehydro-4,5α-epoxy-3,6-dimethoxy-17-methylmorphinan hydrogen [R-(R*,R*)]-tartrate
CAS number:
94713-28-7

No inventory information available

Reference substance information

IUPAC name:
6,7,8,14-Tetradehydro-4,5alpha-epoxy-3,6-dimethoxy-17-methylmorphinan hydrogen (R-(R*,R*))-tartrate
Synonyms
Names:
Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1); Thebaine bitartrate

CAS information

CAS number:
94713-28-7

Molecular and structural information

Molecular formula:
C19H21NO3.C4H6O6
Molecular weight:
461.5
SMILES notation:
C1(=C5C2=C(C=C1)CC4C3=CC=C(C(C23CCN4C)O5)OC)OC.OC(=O)C(O)C(O)C(=O)O
InChl:
InChI=1/C19H21NO3.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h4-7,13,18H,8-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/f/h;7,9H
Structural formula:
Chemical structure