Trimethoprim 1-oxide

CAS Registry Number®

27653-68-5

CAS Name

Trimethoprim 1-oxide

Molecular Formula

C14H18N4O4

Molecular Mass

306.32

Cite this Page

Trimethoprim 1-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27653-68-5 (retrieved 2024-12-22) (CAS RN: 27653-68-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18N4O4/c1-20-10-5-8(6-11(21-2)12(10)22-3)4-9-7-18(19)14(16)17-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17)

InChIKey

InChIKey=FOPGIVDHWKZJDQ-UHFFFAOYSA-N

SMILES

C(C1=CC(OC)=C(OC)C(OC)=C1)C=2C(N)=NC(N)=N(=O)C2

Canonical SMILES

O=N1=CC(=C(N=C1N)N)CC2=CC(OC)=C(OC)C(OC)=C2

Other Names for this Substance

  • 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-, 1-oxide
  • Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-, 1-oxide
  • 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine 1-oxide
  • Trimethoprim 1-oxide
  • Trimethoprim 1-N-oxide

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