Trimetrexate

CAS Registry Number®

52128-35-5
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CAS Name

Trimetrexate

Molecular Formula

C19H23N5O3

Molecular Mass

369.42

Cite this Page

Trimetrexate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52128-35-5 (retrieved 2024-04-23) (CAS RN: 52128-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-217 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C19H23N5O3/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/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)

InChIKey

InChIKey=NOYPYLRCIDNJJB-UHFFFAOYSA-N

SMILES

CC=1C2=C(C=CC1CNC3=CC(OC)=C(OC)C(OC)=C3)N=C(N)N=C2N

Canonical SMILES

N=1C(=NC2=CC=C(C(=C2C1N)C)CNC3=CC(OC)=C(OC)C(OC)=C3)N

Other Names for this Substance

  • 2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-
  • 5-Methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine
  • TMQ
  • NSC 249008
  • JB 11

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