Raltitrexed
(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular Identity
Raltitrexed
(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
PubChem CID: 135400182
ICI D1694 is a N-acyl-amino acid.
2D Structure
Properties
C21H22N4O6S
Molecular Formula
458.50
Molecular Weight
g/mol
458.1260
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
177
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
790
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Raltitrexed112887-68-0ZD1694ZD-1694ICI-D1694D-1694ZD-16(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acidICI D1694D1694FCB9EGG971D 1694DTXSID0046482N-(5-(((3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thenoyl)-L-glutamic acidN-(5-(N-(3,4-Dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino)-2-thenoyl)-L-glutamic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Raltitrexed
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