BETAINE SALICYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5O3.C5H12NO2
Molecular Weight	255.2671
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETAINE SALICYLATE

Structure Search

SMILES

C[N+](C)(C)CC(O)=O.OC1=C(C=CC=C1)C([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	138.1207
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H11NO2
Molecular Weight	117.1463
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:49:19 GMT 2025` Edited by `admin` on `Mon Mar 31 20:49:19 GMT 2025`
Record UNII	DRF395F9AY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAINE SALICYLATE

Official Name

English

BENZOIC ACID, 2-HYDROXY-, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM

Preferred 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

Code System Code Type Description

RXCUI

1489196

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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RxNorm

FDA UNII

DRF395F9AY

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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DAILYMED

DRF395F9AY

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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EPA CompTox

DTXSID60170177

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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PUBCHEM

71587021

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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CAS

17671-53-3

Created by admin on Mon Mar 31 20:49:19 GMT 2025 , Edited by admin on Mon Mar 31 20:49:19 GMT 2025

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Related Record Type Details


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PARENT -> SALT/SOLVATE