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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N3O4
Molecular Weight 291.303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DESAMINO-4-HYDROXY TRIMETHOPRIM

SMILES

COc1cc(Cc2c[nH]c(=N)nc2O)cc(c1OC)OC

InChI

InChIKey=ZKFZTBRMADDRMK-UHFFFAOYSA-N
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C14H17N3O4
Molecular Weight 291.303
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 Fri Jun 25 22:46:46 UTC 2021
Edited
by admin
on Fri Jun 25 22:46:46 UTC 2021
Record UNII
2W6TXK5JQS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DESAMINO-4-HYDROXY TRIMETHOPRIM
Common Name English
4-PYRIMIDINOL, 2-AMINO-5-(3,4,5-TRIMETHOXYBENZYL)-
Systematic Name English
2-AMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDIN-4-OL
Systematic Name English
TRIMETHOPRIM IMPURITY D [EP]
Common Name English
4(3H)-PYRIMIDINONE, 2-AMINO-5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
92440-76-1
Created by admin on Fri Jun 25 22:46:46 UTC 2021 , Edited by admin on Fri Jun 25 22:46:46 UTC 2021
PRIMARY
ECHA (EC/EINECS)
296-233-2
Created by admin on Fri Jun 25 22:46:46 UTC 2021 , Edited by admin on Fri Jun 25 22:46:46 UTC 2021
PRIMARY
PUBCHEM
597783
Created by admin on Fri Jun 25 22:46:46 UTC 2021 , Edited by admin on Fri Jun 25 22:46:46 UTC 2021
PRIMARY
FDA UNII
2W6TXK5JQS
Created by admin on Fri Jun 25 22:46:46 UTC 2021 , Edited by admin on Fri Jun 25 22:46:46 UTC 2021
PRIMARY
EPA CompTox
92440-76-1
Created by admin on Fri Jun 25 22:46:46 UTC 2021 , Edited by admin on Fri Jun 25 22:46:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP