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Substance Name: Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-leucyl)-, L-
RN: 68353-00-4
InChIKey: JCOXDQGAOCWFEN-ROUUACIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H33-N9-O6

Molecular Weight

  • 567.6037
 
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Names and Synonyms

Synonyms

  • N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-leucyl)-L-glutamic acid
  • N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-leucyl)-L-glutamic acid

Systematic Names

  • Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-leucyl)-, L-
  • L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-leucyl)-

Registry Numbers

CAS Registry Number

  • 68353-00-4

System Generated Number

  • 0068353004

Structure Descriptors

InChI

1S/C26H33N9O6/c1-13(2)10-18(24(39)31-17(25(40)41)8-9-19(36)37)32-23(38)14-4-6-16(7-5-14)35(3)12-15-11-29-22-20(30-15)21(27)33-26(28)34-22/h4-7,11,13,17-18H,8-10,12H2,1-3H3,(H,31,39)(H,32,38)(H,36,37)(H,40,41)(H4,27,28,29,33,34)/t17-,18-/m0/s1

InChIKey

JCOXDQGAOCWFEN-ROUUACIJSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 499mg/kg (499mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.