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Substance Name: Pemetrexed 6-oxo diacid impurity
RN: 193281-00-4
UNII: 4AF6UXL7P7
InChIKey: YVRHJHKPTURIID-KIYNQFGBSA-N

Molecular Formula

  • C20-H21-N5-O7

Molecular Weight

  • 443.4139
 
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Names and Synonyms

Name of Substance

  • Pemetrexed 6-oxo diacid impurity

Synonyms

  • L-Glutamic acid, N-(4-(2-(2-amino-4,5,6,7-tetrahydro-4,6-dioxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-
  • LY-338979
  • Pemetrexed 6-oxo diacid impurity
  • UNII-4AF6UXL7P7

Registry Numbers

CAS Registry Number

  • 193281-00-4

FDA UNII

  • 4AF6UXL7P7

System Generated Number

  • 0193281004

Structure Descriptors

InChI

1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1

InChIKey

YVRHJHKPTURIID-KIYNQFGBSA-N

Smiles

NC1=NC2=C(C(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N2)C(=O)N1