![Pemetrexed acid[培美曲塞酸]](https://newcny.com/wp-content/uploads/2024/07/137281-39-1.svg)
CAS Registry Number®
137281-39-1
CAS Name
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
Molecular Formula
C15H14N4O3
Molecular Mass
298.30
Other Names and Identifiers
InChI
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
InChIKey=AIZPFZIKHIJCQX-UHFFFAOYSA-N
SMILES
C(CC1=CC=C(C(O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O
Canonical SMILES
O=C(O)C1=CC=C(C=C1)CCC2=CNC=3NC(=NC(=O)C23)N
Other Names for this Substance
- Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
- Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
- 1H-Pyrrolo[2,3-d]pyrimidine, benzoic acid deriv.
- 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
- Pemetrexed acid
