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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4.C4H11NO2
Molecular Weight 259.2558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHANOLAMINE 2,4-DIHYDROXYBENZOATE

SMILES

OCCNCCO.OC(=O)C1=CC=C(O)C=C1O

InChI

InChIKey=KKEMCMDURXMKNB-UHFFFAOYSA-N
InChI=1S/C7H6O4.C4H11NO2/c8-4-1-2-5(7(10)11)6(9)3-4;6-3-1-5-2-4-7/h1-3,8-9H,(H,10,11);5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O4
Molecular Weight 154.1201
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 Dec 15 15:48:47 GMT 2023
Edited
by admin
on Fri Dec 15 15:48:47 GMT 2023
Record UNII
CUH69CE530
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHANOLAMINE 2,4-DIHYDROXYBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
CUH69CE530
Created by admin on Fri Dec 15 15:48:47 GMT 2023 , Edited by admin on Fri Dec 15 15:48:47 GMT 2023
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SMS_ID
100000088860
Created by admin on Fri Dec 15 15:48:47 GMT 2023 , Edited by admin on Fri Dec 15 15:48:47 GMT 2023
PRIMARY
EVMPD
SUB23147
Created by admin on Fri Dec 15 15:48:47 GMT 2023 , Edited by admin on Fri Dec 15 15:48:47 GMT 2023
PRIMARY
PUBCHEM
76971941
Created by admin on Fri Dec 15 15:48:47 GMT 2023 , Edited by admin on Fri Dec 15 15:48:47 GMT 2023
PRIMARY