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Substance Name: Benzenamine, N,N-bis(2-chloroethyl)-4-(2-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)ethyl)-, hydrochloride, hydrate (1:3:3)
RN: 159277-18-6
InChIKey: HJZRUHWJNDEBAQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C31-H35-Cl2-N7.3Cl-H.3H2-O

Molecular Weight

  • 685.9552
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 159277-18-6

System Generated Number

  • 0159277186

Molecular Formulas

Molecular Formula

  • C31-H35-Cl2-N7.3Cl-H.3H2-O

Molecular Formula Fragments

  • C31-H35-Cl2-N7
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C31H35Cl2N7.3ClH/c1-38-16-18-40(19-17-38)25-8-10-27-29(21-25)37-31(36-27)23-5-9-26-28(20-23)35-30(34-26)11-4-22-2-6-24(7-3-22)39(14-12-32)15-13-33;;;/h2-3,5-10,20-21H,4,11-19H2,1H3,(H,34,35)(H,36,37);3*1H

InChIKey

HJZRUHWJNDEBAQ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)CCc6ccc(cc6)N(CCCl)CCCl.Cl.Cl.Cl