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Substance Name: (Glutathion-S-yl)dihydromorphinone
RN: 119995-15-2
InChIKey: VVZYRFDANRQOGU-WGVGMDPXSA-N

Note

  • Metabolite of morphine from guinea pig bile.

Molecular Formula

  • C27-H34-N4-O9-S

Molecular Weight

  • 590.651
 
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Names and Synonyms

Name of Substance

  • (Glutathion-S-yl)dihydromorphinone

Synonyms

  • Dihydromorphinone-glutathione adduct
  • SG-Dhmo

Systematic Name

  • Glycine, N-(S-((5alpha,8beta)-4,5-epoxy-3-hydroxy-17-methyl-6-oxomorphinan-8-yl)-N-L-gamma-glutamyl-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 119995-15-2

System Generated Number

  • 0119995152

Structure Descriptors

InChI

1S/C27H34N4O9S/c1-31-7-6-27-21-12-2-4-16(32)23(21)40-24(27)17(33)9-18(22(27)15(31)8-12)41-11-14(25(37)29-10-20(35)36)30-19(34)5-3-13(28)26(38)39/h2,4,13-15,18,22,24,32H,3,5-11,28H2,1H3,(H,29,37)(H,30,34)(H,35,36)(H,38,39)/t13-,14-,15+,18+,22+,24-,27+/m0/s1

InChIKey

VVZYRFDANRQOGU-WGVGMDPXSA-N

Smiles

c12[C@]34[C@@H]5[C@@H](Cc2ccc(c1O[C@H]3C(C[C@H]5SC[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(NCC(=O)O)=O)=O)O)[N@](C)CC4