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Substance Name: Thebaine salicylate
RN: 5967-76-0
UNII: H18G9HGG5X
InChIKey: DLNJCKBUSUBWCT-JFYDKBSOSA-N

Molecular Formula

  • C19-H21-N-O3.C7-H6-O3

Molecular Weight

  • 449.5003
 
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Names and Synonyms

Name of Substance

  • Thebaine salicylate

Synonyms

  • Anhydrous thebaine salicylate
  • Benzoic acid, 2-hydroxy-, compd. with (5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan (1:1)
  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)-, 2-hydroxybenzoate
  • Salicylic acid, compd. with thebaine (1:1)
  • Thebaine salicylate
  • UNII-H18G9HGG5X

Registry Numbers

CAS Registry Number

  • 5967-76-0

FDA UNII

  • H18G9HGG5X

System Generated Number

  • 0005967760

Structure Descriptors

InChI

1S/C19H21NO3.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h4-7,13,18H,8-10H2,1-3H3;1-4,8H,(H,9,10)/t13-,18+,19+;/m1./s1

InChIKey

DLNJCKBUSUBWCT-JFYDKBSOSA-N

Smiles

COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.OC(=O)c6ccccc6O