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Substance Name: KAA-276
RN: 167264-26-8
UNII: R7LCO89OE2
InChIKey: DBIGVHCHHUWMLR-UHFFFAOYSA-N

Molecular Formula

  • C31-H35-F-N4-O2.H2-O4-S

Molecular Weight

  • 612.7193
 
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Names and Synonyms

Name of Substance

  • KAA-276

Synonyms

  • Benzenepropanoic acid, 4-(2-(5-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)hexahydro-1,5-diazocin-1(2H)-yl)ethyl)-, sulfate (1:1)
  • KAA-276
  • UNII-R7LCO89OE2

Registry Numbers

CAS Registry Number

  • 167264-26-8

FDA UNII

  • R7LCO89OE2

System Generated Number

  • 0167264268

Structure Descriptors

InChI

1S/C31H35FN4O2.H2O4S/c32-27-14-11-26(12-15-27)23-36-29-6-2-1-5-28(29)33-31(36)35-20-3-18-34(19-4-21-35)22-17-25-9-7-24(8-10-25)13-16-30(37)38;1-5(2,3)4/h1-2,5-12,14-15H,3-4,13,16-23H2,(H,37,38);(H2,1,2,3,4)

InChIKey

DBIGVHCHHUWMLR-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)N4CCCN(CCC4)CCc5ccc(cc5)CCC(=O)O.OS(=O)(=O)O