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Substance Name: Nelonicline citrate
RN: 1026136-84-4
UNII: 5SJ035Q1BQ
InChIKey: JIGJENFBLHIYGW-KQFFBTLNSA-N

Molecular Formula

  • C17-H19-N3-O-S.C6-H8-O7

Molecular Weight

  • 505.5453
 
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Names and Synonyms

Name of Substance

  • Nelonicline citrate

Synonyms

  • (3R,4S,5S)-4-((5-Phenyl-1,3,4-thiadiazol-2-yl)oxy)-1-azaadamantane citrate
  • 1-Azatricyclo(3.3.1.13,7)decane, 4-((5-phenyl-1,3,4-thiadiazol-2-yl)oxy)-, stereoisomer, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Nelonicline citrate
  • UNII-5SJ035Q1BQ

Registry Numbers

CAS Registry Number

  • 1026136-84-4

FDA UNII

  • 5SJ035Q1BQ

System Generated Number

  • 1026136844

Structure Descriptors

InChI

1S/C17H19N3OS.C6H8O7/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5,11,13-15H,6-10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11?,13-,14+,15-;

InChIKey

JIGJENFBLHIYGW-KQFFBTLNSA-N

Smiles

c1ccc(cc1)c2nnc(s2)O[C@@H]3[C@@H]4CC5C[C@H]3CN(C4)C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O