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Substance Name: Pemetrexed acid
RN: 137281-39-1
UNII: JBZ211669I
InChIKey: AIZPFZIKHIJCQX-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-N4-O3

Molecular Weight

  • 298.2967
 
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Names and Synonyms

Name of Substance

  • Pemetrexed acid

Synonyms

  • 4-(2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoic acid
  • Benzoic acid, 4-(2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)-
  • Pemetrexed acid
  • UNII-JBZ211669I

Registry Numbers

CAS Registry Number

  • 137281-39-1

FDA UNII

  • JBZ211669I

System Generated Number

  • 0137281391

Structure Descriptors

InChI

1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)

InChIKey

AIZPFZIKHIJCQX-UHFFFAOYSA-N

Smiles

NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)O)c[nH]c2N1