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Substance Name: Pralatrexate [USAN:INN]
RN: 146464-95-1
UNII: A8Q8I19Q20
InChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-N

Classification Codes

  • Antineoplastic
  • Treatment of Malignancies

Molecular Formula

  • C23-H23-N7-O5

Molecular Weight

  • 477.4787
 

Names and Synonyms

Name of Substance

  • 10-Propargyl-10-deazaaminopterin
  • Pralatrexate
  • Pralatrexate [USAN:INN]

Synonyms

  • (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid
  • 10-Propargyl-10-deazaaminopterin
  • Folotyn
  • HSDB 7786
  • L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-
  • N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid
  • PDX
  • Pralatrexate
  • UNII-A8Q8I19Q20

Systematic Name

  • L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 146464-95-1

FDA UNII

  • A8Q8I19Q20

System Generated Number

  • 0146464951

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-WMCAAGNKSA-N

Smiles

Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1