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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O2.C6H15NO3
Molecular Weight 271.3101
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHANOLAMINE BENZOATE

SMILES

c1ccc(cc1)C(=O)O.C(CO)N(CCO)CCO

InChI

InChIKey=LBCOWMYTAXJNER-UHFFFAOYSA-N
InChI=1S/C7H6O2.C6H15NO3/c8-7(9)6-4-2-1-3-5-6;8-4-1-7(2-5-9)3-6-10/h1-5H,(H,8,9);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C6H15NO3
Molecular Weight 149.1884
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O2
Molecular Weight 122.1216
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 20:41:13 UTC 2021
Edited
by admin
on Fri Jun 25 20:41:13 UTC 2021
Record UNII
M3EN4GC19W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIETHANOLAMINE BENZOATE
Systematic Name English
Code System Code Type Description
RXCUI
1363997
Created by admin on Fri Jun 25 20:41:13 UTC 2021 , Edited by admin on Fri Jun 25 20:41:13 UTC 2021
PRIMARY RxNorm
PUBCHEM
21902750
Created by admin on Fri Jun 25 20:41:13 UTC 2021 , Edited by admin on Fri Jun 25 20:41:13 UTC 2021
PRIMARY
FDA UNII
M3EN4GC19W
Created by admin on Fri Jun 25 20:41:13 UTC 2021 , Edited by admin on Fri Jun 25 20:41:13 UTC 2021
PRIMARY
ECHA (EC/EINECS)
236-002-5
Created by admin on Fri Jun 25 20:41:13 UTC 2021 , Edited by admin on Fri Jun 25 20:41:13 UTC 2021
PRIMARY
CAS
13090-86-3
Created by admin on Fri Jun 25 20:41:13 UTC 2021 , Edited by admin on Fri Jun 25 20:41:13 UTC 2021
PRIMARY
Related Record Type Details
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PARENT -> SALT/SOLVATE