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Substance Name: L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-L-lysyl-L-prolyl-, monohydrochloride
RN: 87230-64-6
InChIKey: WKBUBVJLPPZRGJ-WDTSGDEMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H34-Cl-N7-O5.Cl-H

Molecular Weight

  • 512.4355
 
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Names and Synonyms

Synonym

  • N(sup 2)-(((2-Chloroethyl)nitrosoamino)carbonyl)-L-lysyl-L-prolyl-L-valinamide hydrochloride

Systematic Name

  • L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-L-lysyl-L-prolyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 87230-64-6

System Generated Number

  • 0087230646

Molecular Formulas

Molecular Formula

  • C19-H34-Cl-N7-O5.Cl-H

Molecular Formula Fragments

  • C19-H34-Cl-N7-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H34ClN7O5.ClH/c1-12(2)15(16(22)28)24-17(29)14-7-5-10-26(14)18(30)13(6-3-4-9-21)23-19(31)27(25-32)11-8-20;/h12-15H,3-11,21H2,1-2H3,(H2,22,28)(H,23,31)(H,24,29);1H/t13-,14-,15-;/m0./s1

InChIKey

WKBUBVJLPPZRGJ-WDTSGDEMSA-N

Smiles

CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)N(CCCl)N=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 583, 1987.