TRIMETREXATE GLUCURONATE
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
| Molecular Formula | C25H33N5O10 |
|---|---|
| Molecular Weight | 563.6 g/mol |
| Topological Polar Surface Area | 253.0 A2 |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 563.2227 |
| Heavy Atoms | 40 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 82952-64-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O |
| InChIKey | ZCJXQWYMBJYJNB-LRDBBFHQSA-N |
📖 Product Overview
TRIMETREXATE GLUCURONATE (CAS: 82952-64-5) is a chemical compound with molecular formula C25H33N5O10 and molecular weight 563.6 g/mol. Its IUPAC systematic name is 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid.
ZCJXQWYMBJYJNB-LRDBBFHQSA-N.
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O.
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