EuropeanPharmacopoeia(EP)ReferenceStandard , 5623-18-7

CAS NO.：5623-18-7

Empirical Formula: C15H14N6O3

Molecular Weight: 326.31

MDL number:

PRODUCT Properties

• Melting point: >245°C (dec.)
• Boiling point: 583.7±60.0 °C(Predicted)
• Density: 1.58±0.1 g/cm3(Predicted)
• storage temp.: Refrigerator
• solubility: Aqueous Base (Slightly), DMSO (Very Slightly, Heated), Methanol (Very Slightly)
• pka: 4.74±0.10(Predicted)
• color: Orange to Red
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C15H14N6O3/c1-21(10-4-2-8(3-5-10)14(23)24)7-9-6-17-12-11(18-9)13(22)20-15(16)19-12/h2-6H,7H2,1H3,(H,23,24)(H3,16,17,19,20,22)
• InChIKey: QHNLFEQJGRZKTK-UHFFFAOYSA-N
• SMILES: [nH]1c2nc(n[c](c2nc(c1)CN(C)c3ccc(cc3)C(=O)O)=O)N

Description and Uses

Methotrexate (M260675) impurity D.

Safety

• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids