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Substance Name: Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride
RN: 77905-50-1
InChIKey: HTLJBGVWEGEYEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Cl2-N2-O3.Cl-H

Molecular Weight

  • 329.6095
 
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Names and Synonyms

Synonyms

  • 4-((Bis(2-chloroethyl)amino)methyl)-2-nitro-phenol hydrochloride
  • 4-Hydroxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride

Systematic Name

  • Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77905-50-1

System Generated Number

  • 0077905501

Molecular Formulas

Molecular Formula

  • C11-H14-Cl2-N2-O3.Cl-H

Molecular Formula Fragments

  • C11-H14-Cl2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14Cl2N2O3.ClH/c12-3-5-14(6-4-13)8-9-1-2-11(16)10(7-9)15(17)18;/h1-2,7,16H,3-6,8H2;1H

InChIKey

HTLJBGVWEGEYEJ-UHFFFAOYSA-N

Smiles

c1cc(c(cc1CN(CCCl)CCCl)[N+](=O)[O-])O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Pharmaceutical Chemistry Journal Vol. 15, Pg. 81, 1981.