CROTONOBETAINE HYDROCHLORIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14NO2.Cl
Molecular Weight	179.645
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CROTONOBETAINE HYDROCHLORIDE

Structure Search

SMILES

[Cl-].C[N+](C)(C)C\C=C\C(O)=O

InChI

InChIKey=PUKNFWRLBQXPFL-FXRZFVDSSA-N

InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4+;

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CROTONOBETAINE HYDROCHLORIDE

Common Name

English

(3-CARBOXYALLYL)TRIMETHYLAMMONIUM CHLORIDE

Preferred Name

English

2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE

Common Name

English

(2E)-3-CARBOXY-N,N,N-TRIMETHYL-2-PROPEN-1-AMINIUM CHLORIDE (1:1)

Systematic Name

English

2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1), (2E)-

Systematic Name

English

LEVOCARNITINE RELATED COMPOUND A [USP-RS]

Common Name

English

2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1359925

Created by admin on Tue Apr 01 16:20:36 GMT 2025 , Edited by admin on Tue Apr 01 16:20:36 GMT 2025

PRIMARY

CAS

6538-82-5

Created by admin on Tue Apr 01 16:20:36 GMT 2025 , Edited by admin on Tue Apr 01 16:20:36 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

144205-67-4

Created by admin on Tue Apr 01 16:20:36 GMT 2025 , Edited by admin on Tue Apr 01 16:20:36 GMT 2025

PRIMARY

PUBCHEM

6444550

Created by admin on Tue Apr 01 16:20:36 GMT 2025 , Edited by admin on Tue Apr 01 16:20:36 GMT 2025

PRIMARY

FDA UNII

X7E9C9R1UY

Created by admin on Tue Apr 01 16:20:36 GMT 2025 , Edited by admin on Tue Apr 01 16:20:36 GMT 2025

PRIMARY

PARENT (SALT/SOLVATE)


					ZJ9SA2P3K7

SUBSTANCE RECORD


					X7E9C9R1UY

CROTONOBETAINE HYDROCHLORIDE