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Substance Name: Nalmefene 3-glucuronide
RN: 113346-47-7
UNII: NLD8Y0H9J0
InChIKey: WVNOWMNWGLCPBW-UEDZHUOVSA-N

Molecular Formula

  • C27-H31-N-O9

Molecular Weight

  • 513.5399
 
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Names and Synonyms

Name of Substance

  • Nalmefene 3-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-methylenemorphinan-3-yl
  • Nalmefene 3-glucuronide
  • UNII-NLD8Y0H9J0

Registry Numbers

CAS Registry Number

  • 113346-47-7

FDA UNII

  • NLD8Y0H9J0

System Generated Number

  • 0113346477

Structure Descriptors

InChI

1S/C27H31NO9/c1-12-6-7-27(34)16-10-14-4-5-15(35-25-20(31)18(29)19(30)22(37-25)24(32)33)21-17(14)26(27,23(12)36-21)8-9-28(16)11-13-2-3-13/h4-7,13,16,18-20,22-23,25,29-31,34H,1-3,8-11H2,(H,32,33)/t16-,18+,19+,20-,22+,23+,25-,26+,27-/m1/s1

InChIKey

WVNOWMNWGLCPBW-UEDZHUOVSA-N

Smiles

O[C@@H]1[C@@H](O)[C@H](Oc2ccc3C[C@H]4N(CC5CC5)CC[C@@]67[C@@H](Oc2c36)C(=C)C=C[C@@]47O)O[C@@H]([C@H]1O)C(=O)O