SINAPINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24NO5
Molecular Weight	310.3655
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O

InChI

InChIKey=HUJXHFRXWWGYQH-UHFFFAOYSA-O

InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1

HIDE SMILES / InChI

Molecular Formula	C16H23NO5
Molecular Weight	309.3575
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:38:32 GMT 2025` Edited by `admin` on `Mon Mar 31 21:38:32 GMT 2025`
Record UNII	09211A0HHL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SINAPINE [MI]

Preferred Name

English

SINAPINE

Common Name

English

2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM

Systematic Name

English

CHOLINE, 4-HYDROXY-3,5-DIMETHOXYCINNAMATE (ESTER)

Systematic Name

English

SINAPIN

Common Name

English

CINNAMIC ACID, 4-HYDROXY-3,5-DIMETHOXY-, CHOLINE ESTER

Systematic Name

English

ETHANAMINIUM, 2-(((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-

Systematic Name

English

ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-

Systematic Name

English

ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-

Systematic Name

English

SINAPINE CATION

Common Name

English

TRANS-SINAPOYLCHOLINE

Common Name

English

TRANS-SINAPINE

Common Name

English

SINAPINE ION

Common Name

English

Code System Code Type Description

FDA UNII

09211A0HHL