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Substance Name: Nolpitantium besilate [INN]
RN: 155418-06-7
UNII: SN2G80PK4I
InChIKey: PQRLQZNKDQQMBC-LSYPWIJNSA-M

Note

  • A neurokinin-1 receptor antagonist.

Molecular Formula

  • C43-H50-Cl2-N2-O5-S

Molecular Weight

  • 777.849
 
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Names and Synonyms

Name of Substance

  • Nolpitantium besilate [INN]

Synonyms

  • 1-(2-((S)-3-(3,4-Dichlorophenyl)-1-((m-isopropoxyphenyl)acetyl)-3-piperidyl)ethyl-4-phenylquinuclidinium benzenesulfonate
  • Nolpitantium besilate
  • Nolpitantium besylate
  • SR 140333B
  • SR140333B
  • UNII-SN2G80PK4I

Systematic Name

  • 1-(2-((S)-3-(3,4-Dichlorophenyl)-1-((m-isopropoxyphenyl)acetyl)-3-piperidyl)ethyl)-4-phenylquinuclidinium benzenesulfonate

Registry Numbers

CAS Registry Number

  • 155418-06-7

FDA UNII

  • SN2G80PK4I

System Generated Number

  • 0155418067

Structure Descriptors

InChI

1S/C37H45Cl2N2O2.C6H6O3S/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;7-10(8,9)6-4-2-1-3-5-6/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1/t36?,37-,41?;/m1./s1

InChIKey

PQRLQZNKDQQMBC-LSYPWIJNSA-M

Smiles

[N+]12(CCC(c3ccccc3)(CC1)CC2)CC[C@]1(CN(CCC1)C(=O)Cc1cc(ccc1)OC(C)C)c1cc(c(cc1)Cl)Cl.c1(ccccc1)S(=O)(=O)[O-]