IMIDAZOLE MUSTARD DIHYDROCHLORIDE

Stereochemistry	ACHIRAL
Molecular Formula	C8H12Cl2N6O.2ClH
Molecular Weight	352.048
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E-isomer (MM2 minimum energy E and Z-isomers are 17.3896 and 27.8060 kcal/mol

Cl.Cl.NC(=O)C1=C(NC=N1)\N=N\N(CCCl)CCCl

InChIKey=MQOVIVJLGIFOPK-NSKUCRDLSA-N

InChI=1S/C8H12Cl2N6O.2ClH/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8;;/h5H,1-4H2,(H2,11,17)(H,12,13);2*1H/b15-14+;;

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:55:21 GMT 2025` Edited by `admin` on `Mon Mar 31 17:55:21 GMT 2025`
Record UNII	21SF0YTX64
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

IMIDAZOLE MUSTARD DIHYDROCHLORIDE

Common Name

English

5-(3,3-BIS(2-CHLOROETHYL)-1-TRIAZENO)IMIDAZOLE-4-CARBOXAMIDE DIHYDROCHLORIDE

Preferred Name

English

Code System Code Type Description

CAS

51148-15-3

Created by admin on Mon Mar 31 17:55:21 GMT 2025 , Edited by admin on Mon Mar 31 17:55:21 GMT 2025

NON-SPECIFIC STOICHIOMETRY

FDA UNII

21SF0YTX64

Created by admin on Mon Mar 31 17:55:21 GMT 2025 , Edited by admin on Mon Mar 31 17:55:21 GMT 2025

PRIMARY

PUBCHEM

135565948

Created by admin on Mon Mar 31 17:55:21 GMT 2025 , Edited by admin on Mon Mar 31 17:55:21 GMT 2025

PRIMARY

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ACTIVE MOIETY