Trimethoprim 3-oxide

CAS Registry Number®

27653-67-4
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CAS Name

Trimethoprim 3-oxide

Molecular Formula

C14H18N4O4

Molecular Mass

306.32

Cite this Page

Trimethoprim 3-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27653-67-4 (retrieved 2024-03-04) (CAS RN: 27653-67-4).  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)4-9-7-17-14(16)18(19)13(9)15/h5-7H,4,15H2,1-3H3,(H2,16,17)

InChIKey

InChIKey=WDZLEQOJJCXUSW-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(CC=2C(N)=N(=O)C(N)=NC2)C=C1OC

Canonical SMILES

O=N=1C(=NC=C(C1N)CC2=CC(OC)=C(OC)C(OC)=C2)N

Other Names for this Substance

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

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