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Substance Name: Naldemedine [USAN:INN]
RN: 916072-89-4
UNII: 03KSI6WLXH
InChIKey: AXQACEQYCPKDMV-RZAWKFBISA-N

Notes

  • A mu opioid receptor antagonist.
  • Treatment of Opioid-Induced Gastrointestinal Symptoms.

Molecular Formula

  • C32-H34-N4-O6

Molecular Weight

  • 570.6426
 

Classification Code

  • Treatment of Opioid-Induced Gastrointestinal Symptoms
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Names and Synonyms

Name of Substance

  • Naldemedine [USAN:INN]

Synonyms

  • 17-(cyclopropylmethyl)-6,7-didehydro-4,5alpha-epoxy-3,6,14-trihydroxy-N-(2-(3-phenyl- 1,2,4-oxadiazol-5-yl)propan-2-yl)morphinan-7-carboxamide
  • Morphinan-7-carboxamide, 17-(cyclopropylmethyl)-6,7-didehydro-4,5-epoxy-3,6,14- trihydroxy-N-(1-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl)-,(5alpha)-
  • Naldemedine
  • S 297995
  • S-297,995
  • Symproic
  • UNII-03KSI6WLXH

Systematic Name

  • Morphinan-7-carboxamide, 17-(cyclopropylmethyl)-6,7-didehydro-4,5-epoxy-3,6,14- trihydroxy-N-(1-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl)-,(5alpha)-

Registry Numbers

CAS Registry Number

  • 916072-89-4

FDA UNII

  • 03KSI6WLXH

System Generated Number

  • 0916072894

Structure Descriptors

InChI

InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1

InChIKey

AXQACEQYCPKDMV-RZAWKFBISA-N

Smiles

CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4C[C@H]5N(CC6CC6)CC[C@@]2(c34)[C@@]5(O)C1)c7onc(n7)c8ccccc8