70844-48-3

Name Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride)
CAS 70844-48-3
Molecular Formula C30H31ClN14O4
Molecular Weight 687.112
MOL File 70844-48-3.mol
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Chemical Properties

storage temp.  -20°C
Major Application pharmaceutical
InChI 1S/2C15H15N7O2.ClH/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H
InChIKey WWFYKUISNIJHNQ-UHFFFAOYSA-N
SMILES Cl.N(Cc5nc6c(nc(nc6N)N)nc5)(C)c4ccc(cc4)C(=O)O.N(Cc2nc3c(nc(nc3N)N)nc2)(C)c1ccc(cc1)C(=O)O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
WGK Germany  WGK 3
HS Code  2933599550
Storage Class 13 - Non Combustible Solids
Hazard Classifications Skin Sens. 1

Hazard Information

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