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Substance Name: TG-100801 hydrochloride
RN: 1018069-81-2
UNII: PFJ9GB4R1J
InChIKey: VLWKPMDUDFMWBO-UHFFFAOYSA-N

Molecular Formula

  • C33-H30-Cl-N5-O3.Cl-H

Molecular Weight

  • 616.5459
 
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Names and Synonyms

Name of Substance

  • TG-100801 hydrochloride

Synonyms

  • Phenol, 4-chloro-3-(5-methyl-3-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-1,2,4-benzotriazin-7-yl)-, 1-benzoate, hydrochloride (1:1)
  • TG-100801 hydrochloride
  • UNII-PFJ9GB4R1J

Registry Numbers

CAS Registry Number

  • 1018069-81-2

FDA UNII

  • PFJ9GB4R1J

System Generated Number

  • 1018069812

Structure Descriptors

InChI

1S/C33H30ClN5O3.ClH/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39;/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38);1H

InChIKey

VLWKPMDUDFMWBO-UHFFFAOYSA-N

Smiles

Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5cc(ccc5Cl)OC(=O)c6ccccc6.Cl