Raltitrexed

Raltitrexed
Clinical data
AHFS/Drugs.com	Micromedex Detailed Consumer Information
Routes of; administration	Intravenous
ATC code	L01BA03 (WHO) ;
Legal status
Legal status	UK: POM (Prescription only); US: Not available;
Identifiers
	IUPAC name N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}-2-thienyl)carbonyl]-L-glutamic acid;
CAS Number	112887-68-0 ;
PubChem CID	104758;
IUPHAR/BPS	7403;
DrugBank	DB00293 ;
ChemSpider	94568 ;
UNII	FCB9EGG971;
KEGG	D01064 ;
ChEMBL	ChEMBL225071 ;
PDB ligand	D16 (PDBe, RCSB PDB);
CompTox Dashboard (EPA)	DTXSID0046482 ;
ECHA InfoCard	100.180.242
Chemical and physical data
Formula	C21H22N4O6S
Molar mass	458.49 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(c3sc(N(C)Cc2cc1C(=O)\N=C(/Nc1cc2)C)cc3)N[C@H](C(=O)O)CCC(=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 ; Key:IVTVGDXNLFLDRM-HNNXBMFYSA-N ;
	(verify)

Raltitrexed (Thaltitrexed, Tomudex, TDX, ZD 1694) is an antimetabolite drug used in cancer chemotherapy. It is an inhibitor of thymidylate synthase, and is manufactured by AstraZeneca.

Clinical data


AHFS/Drugs.com	Micromedex Detailed Consumer Information
Routes of administration	Intravenous
ATC code	L01BA03 (WHO)
Legal status
Legal status	UK: POM (Prescription only) US: Not available
Identifiers
IUPAC name N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}-2-thienyl)carbonyl]-L-glutamic acid
CAS Number	112887-68-0^Y
PubChem CID	104758
IUPHAR/BPS	7403
DrugBank	DB00293^Y
ChemSpider	94568^Y
UNII	FCB9EGG971
KEGG	D01064^Y
ChEMBL	ChEMBL225071^Y
PDB ligand	D16 (PDBe, RCSB PDB)
CompTox Dashboard (EPA)	DTXSID0046482
ECHA InfoCard	100.180.242
Chemical and physical data
Formula	C₂₁H₂₂N₄O₆S
Molar mass	458.49 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(c3sc(N(C)Cc2cc1C(=O)\N=C(/Nc1cc2)C)cc3)N[C@H](C(=O)O)CCC(=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^Y Key:IVTVGDXNLFLDRM-HNNXBMFYSA-N^Y
(verify)