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Substance Name: Deazaminopterin
RN: 18921-68-1
InChIKey: IOLLERXPKZGYRA-INIZCTEOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N6-O5

Molecular Weight

  • 438.442
 
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Names and Synonyms

Results Name

  • Deazaminopterin

Synonyms

  • CB 3702
  • Deazaaminopterin
  • Deazaminopterin
  • L-N-(p-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)glutamic acid
  • NCS 529860
  • NSC 529860

Systematic Names

  • Glutamic acid, N-(p-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-, L-
  • L-Glutamic acid, N-(4-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 18921-68-1

System Generated Number

  • 0018921681

Structure Descriptors

InChI

1S/C21H22N6O5/c22-18-14-9-11(1-6-15(14)26-21(23)27-18)10-24-13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16,24H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t16-/m0/s1

InChIKey

IOLLERXPKZGYRA-INIZCTEOSA-N

Smiles

n1c(c2cc(CNc3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)ccc2nc1N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2709506,
mouse LD50 subcutaneous 65mg/kg (65mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2709506,