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Substance Name: Pentazocine glucuronide
RN: 54763-91-6
InChIKey: ULCOPPYWWFWQCJ-OXUBBBLXSA-N

Molecular Formula

  • C25-H35-N-O7

Molecular Weight

  • 461.5515
 
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Names and Synonyms

Name of Substance

  • Pentazocine glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-yl, (2alpha,6alpha,11S*)-

Registry Numbers

CAS Registry Number

  • 54763-91-6

System Generated Number

  • 0054763916

Structure Descriptors

InChI

1S/C25H35NO7/c1-13(2)7-9-26-10-8-25(4)14(3)18(26)11-15-5-6-16(12-17(15)25)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h5-7,12,14,18-22,24,27-29H,8-11H2,1-4H3,(H,30,31)/t14-,18+,19+,20+,21-,22+,24?,25+/m1/s1

InChIKey

ULCOPPYWWFWQCJ-OXUBBBLXSA-N

Smiles

C[C@@H]1[C@@H]2Cc3ccc(OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3[C@@]1(C)CCN2CC=C(C)C