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

Stereochemistry	ACHIRAL
Molecular Formula	C8H12Cl2N6O
Molecular Weight	279.126
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

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

InChIKey=XWRSGLHADOYUFN-CCEZHUSRSA-N

InChI=1S/C8H12Cl2N6O/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)/b15-14+

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:58:26 GMT 2023` Edited by `admin` on `Fri Dec 15 14:58:26 GMT 2023`
Record UNII	OY338X4M2P
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

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

Common Name

English

1H-IMIDAZOLE-4-CARBOXAMIDE, 5-(3,3-BIS(2-CHLOROETHYL)-1-TRIAZENYL)-

Systematic Name

English

BIC

Common Name

English

NSC-82196

Code

English

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

Systematic Name

English

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

Systematic Name

English

IMIDAZOLE MUSTARD

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C902