CAS 67022-39-3 (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic Acid (Methotrexate 5-Methyl Ester)

CAT	APS67022393
CAS	67022-39-3
Structure
Synonyms	Methotrexate 5-Methyl Ester, Methotrexate Imp. H (EP),L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 5-methyl ester
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
Molecular Weight	468.47
Molecular Formula	C21H24N8O5
Canonical SMILES	COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)O
InChI	InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(31)26-14(20(32)33)7-8-15(30)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1

Accurate Mass	468.187
API Family	Matrix - API Family Methotrexate
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Size	25MG
Storage Conditions	+5°C
Subcategory	Anticancerous, Mikromol, Immunosuppressants, Impurity standards

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