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Details

Stereochemistry ACHIRAL
Molecular Formula C29H31Cl2N7
Molecular Weight 548.509
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-BIS(2-CHLOROETHYL)-4-(6-(6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL)-1H-BENZIMIDAZOL-2-YL)ANILINE

SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(NC(=N5)C6=CC=C(C=C6)N(CCCl)CCCl)C=C4

InChI

InChIKey=BGUPMWNOAXIUCI-UHFFFAOYSA-N
InChI=1S/C29H31Cl2N7/c1-36-14-16-38(17-15-36)23-7-9-25-27(19-23)35-29(33-25)21-4-8-24-26(18-21)34-28(32-24)20-2-5-22(6-3-20)37(12-10-30)13-11-31/h2-9,18-19H,10-17H2,1H3,(H,32,34)(H,33,35)

HIDE SMILES / InChI

Molecular Formula C29H31Cl2N7
Molecular Weight 548.509
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:15 GMT 2023
Edited
by admin
on Sat Dec 16 07:56:15 GMT 2023
Record UNII
GEK7MWA74O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-BIS(2-CHLOROETHYL)-4-(6-(6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL)-1H-BENZIMIDAZOL-2-YL)ANILINE
Systematic Name English
BENZENAMINE, N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL)-2'-YL)-
Systematic Name English
N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL)-2'-YL)BENZENAMINE
Systematic Name English
Code System Code Type Description
CAS
166546-19-6
Created by admin on Sat Dec 16 07:56:15 GMT 2023 , Edited by admin on Sat Dec 16 07:56:15 GMT 2023
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EPA CompTox
DTXSID90168123
Created by admin on Sat Dec 16 07:56:15 GMT 2023 , Edited by admin on Sat Dec 16 07:56:15 GMT 2023
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FDA UNII
GEK7MWA74O
Created by admin on Sat Dec 16 07:56:15 GMT 2023 , Edited by admin on Sat Dec 16 07:56:15 GMT 2023
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PUBCHEM
154802
Created by admin on Sat Dec 16 07:56:15 GMT 2023 , Edited by admin on Sat Dec 16 07:56:15 GMT 2023
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