SINAPINE BISULFATE TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24NO5.HO4S.3H2O
Molecular Weight	461.482
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SINAPINE BISULFATE TRIHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=TYWIBPZJIWQQEO-UHFFFAOYSA-N

InChI=1S/C16H23NO5.H2O4S.3H2O/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;1-5(2,3)4;;;/h6-7,10-11H,8-9H2,1-5H3;(H2,1,2,3,4);3*1H2

HIDE SMILES / InChI

Molecular Formula	C16H24NO5
Molecular Weight	310.3655
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:37 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:37 GMT 2023`
Record UNII	LR8J2NHU69
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SINAPINE BISULFATE TRIHYDRATE

Common Name

English

SINAPINE ACID SULFATE TRIHYDRATE

Common Name

English

SINAPINE ACID SULFATE TRIHYDRATE [MI]

Common Name

English

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

Systematic Name

English

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

Common Name

English

CINNAMIC ACID, 4-HYDROXY-3,5-DIMETHOXY-, ESTER WITH CHOLINE HYDROGEN SULFATE TRIHYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

133082675

Created by admin on Sat Dec 16 14:51:37 GMT 2023 , Edited by admin on Sat Dec 16 14:51:37 GMT 2023

PRIMARY

MERCK INDEX

m9949

Created by admin on Sat Dec 16 14:51:37 GMT 2023 , Edited by admin on Sat Dec 16 14:51:37 GMT 2023

PRIMARY

CAS

6106-68-9

Created by admin on Sat Dec 16 14:51:37 GMT 2023 , Edited by admin on Sat Dec 16 14:51:37 GMT 2023

PRIMARY

FDA UNII

LR8J2NHU69

Created by admin on Sat Dec 16 14:51:37 GMT 2023 , Edited by admin on Sat Dec 16 14:51:37 GMT 2023

PRIMARY

Related Record Type Details


					09211A0HHL

SINAPINE

PARENT -> SALT/SOLVATE


					R7213H64QL

SINAPINE BISULFATE

ANHYDROUS->SOLVATE

Related Record Type Details


					09211A0HHL

SINAPINE

ACTIVE MOIETY