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Substance Name: Pralatrexate, (S)-
RN: 1320211-69-5
UNII: 0892G4T376
InChIKey: OGSBUKJUDHAQEA-HOCLYGCPSA-N

Molecular Formula

  • C23-H23-N7-O5

Molecular Weight

  • 477.4787
 
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Names and Synonyms

Name of Substance

  • Pralatrexate, (S)-

Synonyms

  • L-Glutamic acid, N-(4-((1S)-1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-
  • Pralatrexate, (S)-
  • UNII-0892G4T376

Registry Numbers

CAS Registry Number

  • 1320211-69-5

FDA UNII

  • 0892G4T376

System Generated Number

  • 1320211695

Structure Descriptors

InChI

1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14-,16-/m0/s1

InChIKey

OGSBUKJUDHAQEA-HOCLYGCPSA-N

Smiles

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