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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N3O4
Molecular Weight 291.3025
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC(CC2=C(O)N=C(N)N=C2)=CC(OC)=C1OC

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 291.3025
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 Thu Jul 06 14:39:32 UTC 2023
Edited
by admin
on Thu Jul 06 14:39:32 UTC 2023
Record UNII
2W6TXK5JQS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DESAMINO-4-HYDROXY TRIMETHOPRIM
Common Name English
TRIMETHOPRIM IMPURITY D [EP IMPURITY]
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
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 Thu Jul 06 14:39:32 UTC 2023 , Edited by admin on Thu Jul 06 14:39:32 UTC 2023
PRIMARY
ECHA (EC/EINECS)
296-233-2
Created by admin on Thu Jul 06 14:39:32 UTC 2023 , Edited by admin on Thu Jul 06 14:39:32 UTC 2023
PRIMARY
PUBCHEM
597783
Created by admin on Thu Jul 06 14:39:32 UTC 2023 , Edited by admin on Thu Jul 06 14:39:32 UTC 2023
PRIMARY
FDA UNII
2W6TXK5JQS
Created by admin on Thu Jul 06 14:39:32 UTC 2023 , Edited by admin on Thu Jul 06 14:39:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID10239006
Created by admin on Thu Jul 06 14:39:32 UTC 2023 , Edited by admin on Thu Jul 06 14:39:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP