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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5O3.C5H12NO2
Molecular Weight 255.2676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE SALICYLATE

SMILES

c1ccc(c(c1)C(=O)O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChIKey=CFXSFDXXYYHZFU-UHFFFAOYSA-N
InChI=1S/C7H6O3.C5H11NO2/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5(7)8/h1-4,8H,(H,9,10);4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H6O3
Molecular Weight 138.121
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H11NO2
Molecular Weight 117.1465
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:04:44 UTC 2021
Edited
by admin
on Sat Jun 26 15:04:44 UTC 2021
Record UNII
DRF395F9AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAINE SALICYLATE
INCI  
INCI  
Official Name English
(CARBOXYMETHYL)TRIMETHYLAMMONIUM SALICYLATE
Systematic Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, 2-HYDROXYBENZOATE (1:1)
Systematic Name English
BETAINE, SALICYLATE
Common Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, SALT WITH 2-HYDROXYBENZOIC ACID (1:1)
Common Name English
BENZOIC ACID, 2-HYDROXY-, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM
Common Name English
BETAINE SALICYLATE [INCI]
Common Name English
Code System Code Type Description
RXCUI
1489196
Created by admin on Sat Jun 26 15:04:44 UTC 2021 , Edited by admin on Sat Jun 26 15:04:44 UTC 2021
PRIMARY RxNorm
FDA UNII
DRF395F9AY
Created by admin on Sat Jun 26 15:04:44 UTC 2021 , Edited by admin on Sat Jun 26 15:04:44 UTC 2021
PRIMARY
EPA CompTox
17671-53-3
Created by admin on Sat Jun 26 15:04:44 UTC 2021 , Edited by admin on Sat Jun 26 15:04:44 UTC 2021
PRIMARY
PUBCHEM
71587021
Created by admin on Sat Jun 26 15:04:44 UTC 2021 , Edited by admin on Sat Jun 26 15:04:44 UTC 2021
PRIMARY
CAS
17671-53-3
Created by admin on Sat Jun 26 15:04:44 UTC 2021 , Edited by admin on Sat Jun 26 15:04:44 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE