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Substance Name: L-Histidine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt
RN: 63765-95-7
InChIKey: SZNLWRISMNDPSR-RSAXXLAASA-M

Molecular Formula

  • C18-H20-Cl2-N4-O3.Na

Molecular Weight

  • 435.285
 
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Names and Synonyms

Synonyms

  • N(sup alpha)-(3-(Di-(2-chloroethyl)amino)-4-methylbenzoyl)-L-histidine sodium salt
  • Sodium salt of N(sup alpha)-(3-di-(2-chloroethyl)amino-4-methylbenzoyl)-L-histidine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63765-95-7

System Generated Number

  • 0063765957

Molecular Formulas

Molecular Formula

  • C18-H20-Cl2-N4-O3.Na

Molecular Formula Fragments

  • C18-H20-Cl2-N4-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H22Cl2N4O3.Na/c1-12-2-3-13(8-16(12)24(6-4-19)7-5-20)17(25)23-15(18(26)27)9-14-10-21-11-22-14;/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,21,22)(H,23,25)(H,26,27);/q;+1/p-1/t15-;/m0./s1

InChIKey

SZNLWRISMNDPSR-RSAXXLAASA-M

Smiles

c1(N(CCCl)CCCl)cc(C(N[C@@H](Cc2c[nH]cn2)C(=O)[O-])=O)ccc1C.[Na+]

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.