4-[2-(2-Amino-4,7-dihydro-4-oxo-3<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-5-yl)ethyl]benzoic Acid , ≥98.0% , 137281-39-1

CAS NO.：137281-39-1

Empirical Formula: C15H14N4O3

Molecular Weight: 298.3

MDL number: MFCD09833742

EINECS: 429-790-9

PRODUCT Properties

• Melting point: >270°C (dec.)
• Density: 1.55±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• form: Solid
• pka: 4.30±0.10(Predicted)
• color: White to Pale Pink
• 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: AIZPFZIKHIJCQX-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1
• CAS DataBase Reference: 137281-39-1(CAS DataBase Reference)

Description and Uses

Pemetrexed intermediate

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HS Code: 29335990