Analyte Name

CI 898 D-Glucuronic Acid Salt (Trimetrexate D-Glucuronic Acid Salt)

CAS Number

82952-64-5

Molecular Formula

C19 H23 N5 O3 . C6 H10 O7

Molecular Weight

563.557

Accurate Mass

563.223

SMILES

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

InChI

InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)/t;2-,3+,4-,5-/m.0/s1

IUPAC

5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat