CAS 432545-63-6 Methotrexate-d3 - Analytical Products / Alfa Chemistry

CAT	APS432545636
CAS	432545-63-6
Structure
Synonyms	L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-,Methotrexate-D3, N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-L-glutamic acid
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
Molecular Weight	457.46
Molecular Formula	C202H3H19N8O5
Canonical SMILES	[2H]C([2H])([2H])N(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1/i1D3

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