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Substance Name: Thebaine oxalate hexahydrate
RN: 6199-75-3
UNII: 6GXK2VK790
InChIKey: BYDKHRSHFDDVTC-QELQPEAUSA-N

Molecular Formula

  • 2C19-H21-N-O3.C2-H2-O4.6H2-O

Molecular Weight

  • 820.8804
 
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Names and Synonyms

Name of Substance

  • Thebaine oxalate hexahydrate

Synonyms

  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)-, ethanedioate (2:1), hexahydrate
  • Thebaine oxalate hexahydrate
  • Thebaine oxalate hexahydrate salt
  • UNII-6GXK2VK790

Registry Numbers

CAS Registry Number

  • 6199-75-3

FDA UNII

  • 6GXK2VK790

System Generated Number

  • 0006199753

Structure Descriptors

InChI

1S/2C19H21NO3.C2H2O4.6H2O/c2*1-20-9-8-19-12-5-7-15(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;;;;;;/h2*4-7,13,18H,8-10H2,1-3H3;(H,3,4)(H,5,6);6*1H2/t2*13-,18+,19+;;;;;;;/m11......./s1

InChIKey

BYDKHRSHFDDVTC-QELQPEAUSA-N

Smiles

O.O.O.O.O.O.COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.COC6=CC=C7[C@H]8Cc9ccc(OC)c%10O[C@@H]6[C@]7(CCN8C)c9%10.OC(=O)C(=O)O