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Substance Name: Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)glycyl)-, L-
RN: 65118-38-9
InChIKey: ICWQHCUXUVAVPJ-AWEZNQCLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N9-O6

Molecular Weight

  • 511.4965
 
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Names and Synonyms

Synonyms

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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 65118-38-9

System Generated Number

  • 0065118389

Structure Descriptors

InChI

1S/C22H25N9O6/c1-31(10-12-8-25-19-17(27-12)18(23)29-22(24)30-19)13-4-2-11(3-5-13)20(35)26-9-15(32)28-14(21(36)37)6-7-16(33)34/h2-5,8,14H,6-7,9-10H2,1H3,(H,26,35)(H,28,32)(H,33,34)(H,36,37)(H4,23,24,25,29,30)/t14-/m0/s1

InChIKey

ICWQHCUXUVAVPJ-AWEZNQCLSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 777mg/kg (777mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.