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Methotrexate Dimethyl Ester-[d3]

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General Information
Catalog: BLP-011937
CAS: 432545-60-3
Molecular Formula: C22H23D3N8O5
Molecular Weight: 485.51

Chemical Structure

Synonyms	Methotrexate-d3 Dimethyl Ester
IUPAC Name	dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioate
Related CAS	34378-65-9 (unlabelled)
Canonical SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC
InChI	InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/i1D3
InChI Key	DIQFVFAFHNQUTG-FIBGUPNXSA-N
Melting Point	>109°C (dec.)
Purity	95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Yellow to Very Dark Yellow Solid
Storage	Store at -20°C