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Substance Name: Talotrexin [INN]
RN: 113857-87-7
UNII: A8E516A20K
InChIKey: NYQPLPNEESYGNO-IBGZPJMESA-N

Molecular Formula

  • C27-H27-N9-O6

Molecular Weight

  • 573.5673
 
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Names and Synonyms

Results Name

  • Talotrexin [INN]

Name of Substance

  • N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine
  • Talotrexin [INN]

Synonyms

  • N(alpha)-(4-Amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine
  • NSC 623017
  • PT 523
  • PT-523
  • Talotrexin
  • UNII-A8E516A20K

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113857-87-7

FDA UNII

  • A8E516A20K

System Generated Number

  • 0113857877

Structure Descriptors

InChI

1S/C27H27N9O6/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)/t19-/m0/s1

InChIKey

NYQPLPNEESYGNO-IBGZPJMESA-N

Smiles

C(=O)(c1c(cccc1)C(=O)NCCC[C@H](NC(=O)c1ccc(cc1)NCc1nc2c(nc(nc2nc1)N)N)C(=O)O)O