Pemetrexed

CAS Registry Number®

137281-23-3
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CAS Name

Pemetrexed

Molecular Formula

C20H21N5O6

Molecular Mass

427.41

Cite this Page

Pemetrexed.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=137281-23-3 (retrieved 2024-05-20) (CAS RN: 137281-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1

InChIKey

InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

SMILES

C(CC1=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O

Canonical SMILES

O=C1N=C(N)NC=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)O

Other Names for this Substance

  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-
  • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-
  • 1H-Pyrrolo[2,3-d]pyrimidine, L-glutamic acid deriv.
  • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
  • Pemetrexed

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