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Raltitrexed

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For Research Use Only | Not For Clinical Use

CAT	APS112887680
CAS	112887-68-0
Structure
Synonyms	N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-L-glutamic Acid, Raltitrexed, D 1694, Tomudex, ICI-D 1694, N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-L-glutamic acid, TDX, ZD 1694, L-Glutamic acid, N-[[5-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]- (9CI)
IUPAC Name	(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular Weight	458.49
Molecular Formula	C21H22N4O6S
Canonical SMILES	CN(Cc1ccc2NC(=NC(=O)c2c1)C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

Accurate Mass	458.126
Format	Neat

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