Raltitrexed disodiumProduct ingredient for Raltitrexed
- Name
- Raltitrexed disodium
- Drug Entry
- Raltitrexed
Raltitrexed (brand name Tomudex®) is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.
- Accession Number
- DBSALT003210
- Structure
Structure for Raltitrexed disodium (DBSALT003210)
- Synonyms
- Not Available
- UNII
- 50VZN4BPUK
- CAS Number
- Not Available
- Weight
- Average: 502.45
Monoisotopic: 502.08989411 - Chemical Formula
- C21H20N4Na2O6S
- InChI Key
- HYYVJHYAMGPPLX-CKUXDGONSA-L
- InChI
- InChI=1S/C21H22N4O6S.2Na/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);;/q;2*+1/p-2/t15-;;/m0../s1
- IUPAC Name
- disodium (2S)-2-[(5-{methyl[(2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioate
- SMILES
- [Na+].[Na+].CN(CC1=CC2=C(C=C1)N=C(C)NC2=O)C1=CC=C(S1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
- External Links
- ChemSpider
- 52083521
- Predicted Properties
Property Value Source Water Solubility 0.017 mg/mL ALOGPS logP 2.11 ALOGPS logP 0.34 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.7 Chemaxon pKa (Strongest Basic) 6.14 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 154.06 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 139.5 m3·mol-1 Chemaxon Polarizability 45.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon