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Substance Name: Imidazole mustard
RN: 5034-77-5
InChIKey: HWZWQWYYZMCKAJ-CCEZHUSRSA-N

Note

  • Inhibitor of purine nucleoside synthesis.

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C8-H12-Cl2-N6-O

Molecular Weight

  • 279.13
 
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Names and Synonyms

Name of Substance

  • Imidazole mustard

Synonyms

  • 5-(3,3-Bis(2-chlorethyl)-1-triazeno)-imidazole-4-carboxamide
  • 5-(3,3-Bis(2-chloroethyl)-1-triazeno)imidazole-4-carboxamide
  • BIC
  • BRN 0808683
  • IC(HN2)T
  • Imidazole mustard
  • NCI-C01616
  • NSC-82196
  • SRI 2489

Systematic Names

  • 1H-Imidazole-4-carboxamide, 5-(3,3-bis(2-chloroethyl)-1-triazenyl)- (9CI)
  • Imidazole-4-carboxamide, 5-(3,3-bis(2-chloroethyl)-1-triazeno)-

Registry Numbers

CAS Registry Number

  • 5034-77-5

System Generated Number

  • 0005034775

Structure Descriptors

InChI

1S/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5,8H,1-4H2,(H2,11,17)/b15-14+

InChIKey

HWZWQWYYZMCKAJ-CCEZHUSRSA-N

Smiles

C=1([C@@H](\N=N\N(CCCl)CCCl)N=CN1)C(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intravenous 9gm/kg (9000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Cancer Chemotherapy Reports, Part 1. Vol. 56, Pg. 671, 1972.
mouse LD50 intraperitoneal 60060ug/kg (60.06mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 210mg/kg (210mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 oral 267mg/kg (267mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,