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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H15NO5
Molecular Weight 289.2833
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-((2,5-DIHYDROXYBENZYL)AMINO)-2-HYDROXYBENZOATE

SMILES

COC(=O)C1=CC=C(NCC2=CC(O)=CC=C2O)C=C1O

InChI

InChIKey=UKKCCABWWBKWOE-UHFFFAOYSA-N
InChI=1S/C15H15NO5/c1-21-15(20)12-4-2-10(7-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H15NO5
Molecular Weight 289.2833
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 Tue Apr 01 19:35:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:04 GMT 2025
Record UNII
L0CH9I9BQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-((2,5-DIHYDROXYBENZYL)AMINO)-2-HYDROXYBENZOATE
Systematic Name English
NSC-687945
Preferred Name English
BENZOIC ACID, 4-(((2,5-DIHYDROXYPHENYL)METHYL)AMINO)-2-HYDROXY-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00164777
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
PRIMARY
NSC
687945
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
PRIMARY
PUBCHEM
390508
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
PRIMARY
CAS
151391-92-3
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
PRIMARY
FDA UNII
L0CH9I9BQF
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
PRIMARY