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Substance Name: Glycinamide, D-lysyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-,mono(trifluoroacetate)
RN: 68426-98-2
InChIKey: YGWOSDAUCRGJJX-CQRUTIIZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H57-Cl2-N9-O6.C2-H-F3-O2

Molecular Weight

  • 896.8312
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68426-98-2

System Generated Number

  • 0068426982

Molecular Formulas

Molecular Formula

  • C36-H57-Cl2-N9-O6.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C36-H57-Cl2-N9-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C36H57Cl2N9O6.C2HF3O2/c1-24(2)21-28(43-34(51)30-9-6-18-47(30)36(53)27(40)7-3-4-16-39)33(50)42-23-32(49)46-17-5-8-29(46)35(52)44-31(48)22-41-25-10-12-26(13-11-25)45(19-14-37)20-15-38;3-2(4,5)1(6)7/h10-13,24,27-30,41H,3-9,14-23,39-40H2,1-2H3,(H,42,50)(H,43,51)(H,44,48,52);(H,6,7)/t27-,28+,29+,30+;/m1./s1

InChIKey

YGWOSDAUCRGJJX-CQRUTIIZSA-N

Smiles

CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)CNc2ccc(cc2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)N.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.