SINAPINE BROMIDE TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24NO5.Br.3H2O
Molecular Weight	444.315
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SINAPINE BROMIDE TRIHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=OHCPFRXIGBSACP-UHFFFAOYSA-N

InChI=1S/C16H23NO5.BrH.3H2O/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;1H;3*1H2

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C16H24NO5
Molecular Weight	310.3655
Charge	1
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:27:57 GMT 2025` Edited by `admin` on `Tue Apr 01 22:27:57 GMT 2025`
Record UNII	M7R8J1A76Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLINE, BROMIDE, 4-HYDROXY-3,5-DIMETHOXYCINNAMATE, TRIHYDRATE (8CI) ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, BROMIDE, TRIHYDRATE

Preferred Name

English

SINAPINE BROMIDE TRIHYDRATE

Common Name

English

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

Systematic Name

English

SINAPINE BROMIDE TRIHYDRATE [MI]

Common Name

English

Code System Code Type Description

CAS

6484-85-1

Created by admin on Tue Apr 01 22:27:57 GMT 2025 , Edited by admin on Tue Apr 01 22:27:57 GMT 2025

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MERCK INDEX

m9949

Created by admin on Tue Apr 01 22:27:57 GMT 2025 , Edited by admin on Tue Apr 01 22:27:57 GMT 2025

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FDA UNII

M7R8J1A76Z

Created by admin on Tue Apr 01 22:27:57 GMT 2025 , Edited by admin on Tue Apr 01 22:27:57 GMT 2025

PRIMARY

PUBCHEM

133082885

Created by admin on Tue Apr 01 22:27:57 GMT 2025 , Edited by admin on Tue Apr 01 22:27:57 GMT 2025

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