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Details

Stereochemistry RACEMIC
Molecular Formula C14H18N4O4
Molecular Weight 306.3177
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-HYDROXYTRIMETHOPRIM

SMILES

COc1cc(cc(c1OC)OC)C(c2c[nH]c(=N)[nH]c2=N)O

InChI

InChIKey=ZQRSRBQVQNNQKD-UHFFFAOYSA-N
InChI=1S/C14H18N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6,11,19H,1-3H3,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C14H18N4O4
Molecular Weight 306.3177
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:36:12 UTC 2021
Edited
by admin
on Fri Jun 25 22:36:12 UTC 2021
Record UNII
7439XP501F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-HYDROXYTRIMETHOPRIM
Common Name English
(+/-)- .ALPHA.-(2,4-DIAMINO-5-PYRIMIDYL)-3,4,5-TRIMETHOXYBENZYL ALCOHOL
Systematic Name English
RACEMIC .ALPHA.-(2,4-DIAMINO-5-PYRIMIDYL)-3,4,5-TRIMETHOXYBENZYL ALCOHOL
Systematic Name English
RO-20-0657/000
Code English
TRIMETHOPRIM IMPURITY C [EP]
Common Name English
5-PYRIMIDINEMETHANOL, 2,4-DIAMINO-.ALPHA.-(3,4,5-TRIMETHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
29606-06-2
Created by admin on Fri Jun 25 22:36:12 UTC 2021 , Edited by admin on Fri Jun 25 22:36:12 UTC 2021
PRIMARY
FDA UNII
7439XP501F
Created by admin on Fri Jun 25 22:36:12 UTC 2021 , Edited by admin on Fri Jun 25 22:36:12 UTC 2021
PRIMARY
PUBCHEM
44362947
Created by admin on Fri Jun 25 22:36:12 UTC 2021 , Edited by admin on Fri Jun 25 22:36:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP