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Substance Name: Naldemedine tosylate [USAN]
RN: 1345728-04-2
UNII: V1N8F1RVVO
InChIKey: WCYDLROFMZJJLE-RTMHEQJQSA-N

Note

  • Treatment of Opioid-Induced Gastrointestinal Symptoms.

Classification Code

  • Treatment of Opioid-Induced Gastrointestinal Symptoms

Molecular Formula

  • C32-H34-N4-O6.C7-H8-O3S

Molecular Weight

  • 742.8458
 
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Names and Synonyms

Name of Substance

  • Naldemedine tosylate
  • Naldemedine tosylate [USAN]

Synonyms

  • 17-(Cyclopropylmethyl)-6,7-didehydro-4,5a-epoxy-3,6,14-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)morphinan-7-carboxamide 4-methylbenzenesulfonic acid
  • Naldemedine tosylate
  • None
  • Symproic
  • UNII-V1N8F1RVVO

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)-, 4-methylbenzenesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 1345728-04-2

FDA UNII

  • V1N8F1RVVO

System Generated Number

  • 1345728042

Structure Descriptors

InChI

1S/C32H34N4O6.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39);2-5H,1H3,(H,8,9,10)/t22-,26+,31+,32-;/m1./s1

InChIKey

WCYDLROFMZJJLE-RTMHEQJQSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.CC(C)(NC(=O)C2=C(O)[C@@H]3Oc4c(O)ccc5C[C@H]6N(CC7CC7)CC[C@@]3(c45)[C@@]6(O)C2)c8onc(n8)c9ccccc9