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Substance Name: CI 680
RN: 56287-31-1
UNII: 0X76UOC3KR
InChIKey: STAHNFFHFRNPMD-OQKDUQJOSA-N

Molecular Weight

  • 624.639
 
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Names and Synonyms

Name of Substance

  • CI 680

Synonyms

  • 3-(p-(alpha-(p-Methoxyphenyl)beta-nitrostyryl)phenoxy)-N,N-dimethylpropylamine monocitrate
  • CI-680
  • UNII-0X76UOC3KR

Systematic Name

  • 3-(4-(1-(4-Methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)-N,N-dimethyl-1-propanamine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 56287-31-1

FDA UNII

  • 0X76UOC3KR

System Generated Number

  • 0056287311

Structure Descriptors

InChI

1S/C26H28N2O4.C6H8O7/c1-27(2)18-7-19-32-24-16-12-21(13-17-24)25(20-10-14-23(31-3)15-11-20)26(28(29)30)22-8-5-4-6-9-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-17H,7,18-19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

InChIKey

STAHNFFHFRNPMD-OQKDUQJOSA-N

Smiles

C(C(=O)O)C(C(=O)O)(O)CC(=O)O.C(CCOc1ccc(cc1)C(=C(/c1ccccc1)[N+](=O)[O-])\c1ccc(cc1)OC)N(C)C