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Substance Name: Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3)
RN: 159277-20-0
InChIKey: KDIHFRKXUSYVDF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C35-H43-Cl2-N7.3Cl-H.3/2H2-O

Molecular Weight

  • 742.0624
 
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Names and Synonyms

  • Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3)

Registry Numbers

CAS Registry Number

  • 159277-20-0

System Generated Number

  • 0159277200

Molecular Formulas

Molecular Formula

  • C35-H43-Cl2-N7.3Cl-H.3/2H2-O

Molecular Formula Fragments

  • C35-H43-Cl2-N7
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C35H43Cl2N7.3ClH/c1-42-20-22-44(23-21-42)29-13-15-31-33(25-29)41-35(40-31)27-10-14-30-32(24-27)39-34(38-30)7-5-3-2-4-6-26-8-11-28(12-9-26)43(18-16-36)19-17-37;;;/h8-15,24-25H,2-7,16-23H2,1H3,(H,38,39)(H,40,41);3*1H

InChIKey

KDIHFRKXUSYVDF-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)CCCCCCc6ccc(cc6)N(CCCl)CCCl.Cl.Cl.Cl