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Substance Name: Glycinamide, D-phenylalanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-
RN: 68427-02-1
InChIKey: RPJWRQAISMFCQW-GJBCSVNNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H54-Cl2-N8-O6

Molecular Weight

  • 801.8116
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68427-02-1

System Generated Number

  • 0068427021

Structure Descriptors

InChI

1S/C39H54Cl2N8O6/c1-26(2)22-31(45-37(53)33-11-7-19-49(33)39(55)30(42)23-27-8-4-3-5-9-27)36(52)44-25-35(51)48-18-6-10-32(48)38(54)46-34(50)24-43-28-12-14-29(15-13-28)47(20-16-40)21-17-41/h3-5,8-9,12-15,26,30-33,43H,6-7,10-11,16-25,42H2,1-2H3,(H,44,52)(H,45,53)(H,46,50,54)/t30-,31+,32+,33+/m1/s1

InChIKey

RPJWRQAISMFCQW-GJBCSVNNSA-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](Cc4ccccc4)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1188, 1978.