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Substance Name: CB-839 hydrochloride
RN: 1874231-60-3
UNII: B33561JJ61
InChIKey: NMVMURBPQFKTAX-UHFFFAOYSA-N

Molecular Formula

  • C26-H24-F3-N7-O3-S.Cl-H

Molecular Weight

  • 608.035
 
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Names and Synonyms

Name of Substance

  • CB-839 hydrochloride

Synonyms

  • 2-Pyridineacetamide, N-(5-(4-(6-((2-(3-(trifluoromethoxy)phenyl)acetyl)amino)-3-pyridazinyl)butyl)-1,3,4-thiadiazol-2-yl)-, hydrochloride (1:1)
  • CB-839 hydrochloride
  • UNII-B33561JJ61

Registry Numbers

CAS Registry Number

  • 1874231-60-3

FDA UNII

  • B33561JJ61

System Generated Number

  • 1874231603

Structure Descriptors

InChI

1S/C26H24F3N7O3S.ClH/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19;/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38);1H

InChIKey

NMVMURBPQFKTAX-UHFFFAOYSA-N

Smiles

Cl.FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1