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Substance Name: Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-
RN: 52616-31-6
InChIKey: MIOHZNFLNIQUBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Cl2-N4-O3.2Cl-H

Molecular Weight

  • 445.388
 
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Names and Synonyms

Synonym

  • L-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)histidine dihydrochloride

Systematic Name

  • Histidine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-, dihydrochloride, L-

Registry Numbers

CAS Registry Number

  • 52616-31-6

System Generated Number

  • 0052616316

Molecular Formulas

Molecular Formula

  • C18-H22-Cl2-N4-O3.2Cl-H

Molecular Formula Fragments

  • C18-H22-Cl2-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N4O3.2ClH/c1-4-8-23(9-5-2)18-10-15(7-6-14(18)3)19(25)24-12-16(22-13-24)11-17(21)20(26)27;;/h6-7,10,12-13,17H,4-5,8-9,11,21H2,1-3H3,(H,26,27);2*1H

InChIKey

MIOHZNFLNIQUBB-UHFFFAOYSA-N

Smiles

c1([N+](CCC)CCC)cc(C([N+]2C=C(C[C@@H](C(O)=O)N)N=C2)=O)ccc1C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 8, Pg. 17, 1974.