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Substance Name: Imlatoclax
RN: 1257050-45-5
UNII: 9N0WGX79M7
InChIKey: WKULGVVLSQGJTK-FRYYGAHLSA-N

Molecular Formula

  • C47-H54-Cl-N7-O7-S

Molecular Weight

  • 896.5046
 
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Names and Synonyms

Name of Substance

  • Imlatoclax

Synonyms

  • 4-(4-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en- 1-yl)methyl)piperazin-1-yl)-N-(4-(((trans-4-hydroxy- 4-methylcyclohexyl)methyl)amino)-3-nitrobenzenesulfonyl)- 2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide
  • Benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((4-(((trans-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)-
  • Imlatoclax
  • Imlatoclax [INN]
  • UNII-9N0WGX79M7

Registry Numbers

CAS Registry Number

  • 1257050-45-5

FDA UNII

  • 9N0WGX79M7

System Generated Number

  • 1257050455

Structure Descriptors

InChI

1S/C47H54ClN7O7S/c1-46(2)16-14-34(40(27-46)32-4-6-35(48)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)62-37-24-33-15-19-49-44(33)51-29-37)45(56)52-63(60,61)38-9-11-41(42(26-38)55(58)59)50-28-31-12-17-47(3,57)18-13-31/h4-11,15,19,24-26,29,31,50,57H,12-14,16-18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,47-

InChIKey

WKULGVVLSQGJTK-FRYYGAHLSA-N

Smiles

CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NC[C@@H]6CC[C@@](C)(O)CC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4