U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N4O3
Molecular Weight 276.2916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DEMETHYLTRIMETHOPRIM

SMILES

COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(c1O)OC

InChI

InChIKey=HPOCGNHBIFZCAN-UHFFFAOYSA-N
InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C13H16N4O3
Molecular Weight 276.2916
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 11:43:51 UTC 2021
Edited
by admin
on Sat Jun 26 11:43:51 UTC 2021
Record UNII
N775B87UF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DEMETHYLTRIMETHOPRIM
Common Name English
4-((2,4-DIAMINO-5-PYRIMIDINYL)METHYL)-2,6-DIMETHOXYPHENOL
Systematic Name English
PHENOL, 4-((2,4-DIAMINO-5-PYRIMIDINYL)METHYL)-2,6-DIMETHOXY-
Systematic Name English
4'-HYDROXYTRIMETHOPRIM
Common Name English
2,4-DIAMINO-5-(3,5-DIMETHOXY-4-HYDROXYBENZYL)PYRIMIDINE
Systematic Name English
4-DEMETHYL-TRIMETHOPRIM
Common Name English
RO 5-9552/001
Common Name English
Code System Code Type Description
FDA UNII
N775B87UF5
Created by admin on Sat Jun 26 11:43:52 UTC 2021 , Edited by admin on Sat Jun 26 11:43:52 UTC 2021
PRIMARY
CAS
21253-58-7
Created by admin on Sat Jun 26 11:43:52 UTC 2021 , Edited by admin on Sat Jun 26 11:43:52 UTC 2021
PRIMARY
PUBCHEM
10423570
Created by admin on Sat Jun 26 11:43:52 UTC 2021 , Edited by admin on Sat Jun 26 11:43:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE