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Substance Name: Glycinamide, glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-, mono(trifluoroacetate)
RN: 68426-96-0
InChIKey: WOWCJFKHENDKPW-NTISSMGPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-Cl2-N5-O3.C2-H-F3-O2

Molecular Weight

  • 558.3822
 
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Names and Synonyms

Synonym

  • Glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)glycinamide mono(trifluoroacetate)

Systematic Name

  • Glycinamide, glycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-, mono(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 68426-96-0

System Generated Number

  • 0068426960

Molecular Formulas

Molecular Formula

  • C19-H27-Cl2-N5-O3.C2-H-F3-O2

Molecular Formula Fragments

  • C19-H27-Cl2-N5-O3
  • C2-H-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27Cl2N5O3.C2HF3O2/c20-7-10-25(11-8-21)15-5-3-14(4-6-15)23-13-17(27)24-19(29)16-2-1-9-26(16)18(28)12-22;3-2(4,5)1(6)7/h3-6,16,23H,1-2,7-13,22H2,(H,24,27,29);(H,6,7)/t16-;/m0./s1

InChIKey

WOWCJFKHENDKPW-NTISSMGPSA-N

Smiles

c1cc(ccc1NCC(=O)NC(=O)[C@@H]2CCCN2C(=O)CN)N(CCCl)CCCl.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11mg/kg (11mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.