ChemicalBook--->CAS DataBase List--->927-89-9

927-89-9

927-89-9 Structure

927-89-9 Structure
IdentificationBack Directory
[Name]

CROTONYLBETAINE(CARNITINE IMPURITY)(RG)
[CAS]

927-89-9
[Synonyms]

Croton Betaine
Crotonobetaine
crotonic acid betaine
L-carnitine impurity A
Levocarnitine Impurity Ⅰ
Crotonylbetaine(carnitine impurity)
(E/Z)-4-(Trimethylammonio)but-2-enoate
CROTONYLBETAINE(CARNITINE IMPURITY)(RG)
(E)- or (Z)-4-(triMethylaMMonio)but-2-enoate
Crotonobetaine DISCONTINUED. Please see C818805
(3-Carboxyallyl)triMethylaMMoniuM Hydroxide Inner Salt
3-Carboxy-N,N,N-triMethyl-2-propen-1-aMiniuM Inner Salt
[Molecular Formula]

C16H30N2O6
[MDL Number]

MFCD01674861
[MOL File]

927-89-9.mol
[Molecular Weight]

346.419
Chemical PropertiesBack Directory
[form ]

neat
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
[InChIKey]

GUYHPGUANSLONG-SNAWJCMRSA-N
[SMILES]

[N+](C\C=C\C(=O)[O-])(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

Crotonobetaine is a trimethylammonium compound that can be converted into L-Carnitine by Escherichia coli via stereoselective hydration.
[Definition]

ChEBI: 4-(trimethylammonio)but-2-enoate is an amino-acid betaine. It is functionally related to a but-2-enoate. It is a conjugate base of a 4-(trimethylammonio)but-2-enoic acid.
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