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Substance Name: Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanyl)-, L-
RN: 68366-98-3
InChIKey: CGUIHQSGDZKQFQ-NHYWBVRUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N9-O6

Molecular Weight

  • 525.5233
 
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Names and Synonyms

Synonyms

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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 68366-98-3

System Generated Number

  • 0068366983

Structure Descriptors

InChI

1S/C23H27N9O6/c1-11(20(35)29-15(22(37)38)7-8-16(33)34)27-21(36)12-3-5-14(6-4-12)32(2)10-13-9-26-19-17(28-13)18(24)30-23(25)31-19/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,27,36)(H,29,35)(H,33,34)(H,37,38)(H4,24,25,26,30,31)/t11-,15-/m0/s1

InChIKey

CGUIHQSGDZKQFQ-NHYWBVRUSA-N

Smiles

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 468mg/kg (468mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.