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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N4O4
Molecular Weight 306.3177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHOPRIM 3-OXIDE

SMILES

COc1cc(Cc2c[nH]c(=N)n(=O)c2N)cc(c1OC)OC

InChI

InChIKey=WDZLEQOJJCXUSW-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C14H18N4O4
Molecular Weight 306.3177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:01:31 UTC 2021
Edited
by admin
on Sat Jun 26 01:01:31 UTC 2021
Record UNII
NVW7CIX03F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHOPRIM 3-OXIDE
Common Name English
3-NO-TRIMETHOPRIM
Common Name English
2,4-PYRIMIDINEDIAMINE, 5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, 3-OXIDE
Systematic Name English
2,4-DIAMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDINE 3-OXIDE
Systematic Name English
TRIMETHOPRIM 3-N-OXIDE
Common Name English
Code System Code Type Description
FDA UNII
NVW7CIX03F
Created by admin on Sat Jun 26 01:01:31 UTC 2021 , Edited by admin on Sat Jun 26 01:01:31 UTC 2021
PRIMARY
CAS
27653-67-4
Created by admin on Sat Jun 26 01:01:31 UTC 2021 , Edited by admin on Sat Jun 26 01:01:31 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP1A1 and CYP1B1 were the heterologously expressed enzymes that catalyzed the highest rates of 3-NO-TMP formation.
PARENT -> METABOLITE
CYP1A1 and CYP1B1 were the heterologously expressed enzymes that catalyzed the highest rates of 3-NO-TMP formation.