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Substance Name: Talotrexin Ammonium [USAN]
RN: 648420-92-2
UNII: 686WJT9102
InChIKey: CURXCENNYPPKOS-FYZYNONXSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C27-H27-N9-O6.N-H3

Molecular Weight

  • 590.598
 
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Names and Synonyms

Name of Substance

  • Talotrexin Ammonium [USAN]

Synonyms

  • 2-(((4S)-4-Carboxy-4-((4-(((2,4-diaminopteridin-6-yl)methyl)amino)benzoyl)amino)butyl)carbamoyl)benzoic acid monoammonium salt
  • NSC 712783
  • PT-523
  • PT523
  • Talotrexin Ammonium
  • UNII-686WJT9102

Systematic Name

  • Benzoic acid, 2-((((4S)-4-carboxy-4-((4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)amino)butyl)amino)carbonyl)-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 648420-92-2

FDA UNII

  • 686WJT9102

System Generated Number

  • 0648420922

Molecular Formulas

Molecular Formula

  • C27-H27-N9-O6.N-H3

Molecular Formula Fragments

  • C27-H27-N9-O6
  • COMPONENT
  • N-H3

Structure Descriptors

InChI

1S/C27H27N9O6.H3N/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40;/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36);1H3/t19-;/m0./s1

InChIKey

CURXCENNYPPKOS-FYZYNONXSA-N

Smiles

N.Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1