Trimetrexate glucuronate
CAS Registry Number®
82952-64-5
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CAS Name
Trimetrexate glucuronateMolecular Formula
C19H23N5O3.C6H10O7Cite this Page
Trimetrexate glucuronate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=82952-64-5 (retrieved ) (CAS RN: 82952-64-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
InChIKey=ZCJXQWYMBJYJNB-LRDBBFHQSA-N
SMILES
CC=1C2=C(C=CC1CNC3=CC(OC)=C(OC)C(OC)=C3)N=C(N)N=C2N.[C@H]([C@@H]([C@H](C=O)O)O)([C@@H](C(O)=O)O)O
Canonical SMILES
O=CC(O)C(O)C(O)C(O)C(=O)O.N=1C(=NC2=CC=C(C(=C2C1N)C)CNC3=CC(OC)=C(OC)C(OC)=C3)N
Other Names for this Substance
- D-Glucuronic acid, compd. with 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine (1:1)
- 2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, mono-D-glucuronate
- Trimetrexate glucuronate
- Neutrexin
