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Substance Name: Thebaine oxalate monohydrate
RN: 6043-89-6
UNII: V3ONN2T0PG
InChIKey: LMZYFGOYYLQNRI-GBTORLPQSA-N

Molecular Formula

  • C19-H21-N-O3.C2-H2-O4.H2-O

Molecular Weight

  • 419.4275
 
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Names and Synonyms

Name of Substance

  • Thebaine oxalate monohydrate

Synonyms

  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)-, ethanedioate (1:1), monohydrate
  • Thebaine oxalate monohydrate
  • Thebaine oxalate monohydrate salt
  • UNII-V3ONN2T0PG

Registry Numbers

CAS Registry Number

  • 6043-89-6

FDA UNII

  • V3ONN2T0PG

System Generated Number

  • 0006043896

Structure Descriptors

InChI

1S/C19H21NO3.C2H2O4.H2O/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;3-1(4)2(5)6;/h4-7,13,18H,8-10H2,1-3H3;(H,3,4)(H,5,6);1H2/t13-,18+,19+;;/m1../s1

InChIKey

LMZYFGOYYLQNRI-GBTORLPQSA-N

Smiles

O.COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.OC(=O)C(=O)O