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Substance Name: Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-3-phenyl-L-alanyl)-, L-
RN: 65118-40-3
InChIKey: WPJOEYTWIDDCCP-SFTDATJTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N9-O6

Molecular Weight

  • 601.6209
 
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Names and Synonyms

Synonym

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

Systematic Names

  • Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-3-phenyl-L-alanyl)-, L-
  • L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-phenylalanyl)-

Registry Numbers

CAS Registry Number

  • 65118-40-3

System Generated Number

  • 0065118403

Structure Descriptors

InChI

1S/C29H31N9O6/c1-38(15-18-14-32-25-23(33-18)24(30)36-29(31)37-25)19-9-7-17(8-10-19)26(41)35-21(13-16-5-3-2-4-6-16)27(42)34-20(28(43)44)11-12-22(39)40/h2-10,14,20-21H,11-13,15H2,1H3,(H,34,42)(H,35,41)(H,39,40)(H,43,44)(H4,30,31,32,36,37)/t20-,21-/m0/s1

InChIKey

WPJOEYTWIDDCCP-SFTDATJTSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 487mg/kg (487mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.