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Details

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

SHOW SMILES / InChI
Structure of SINAPINE

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

Approval Year

Unknown
139594
Patents

Patents

6245363
12
Name Type Language
SINAPINE
MI  
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
SINAPINE [MI]
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
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
WIKIPEDIA
SINAPINE
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
CAS
18696-26-9
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CHEBI
16353
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
MESH
C005685
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
PUBCHEM
89287
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID10171957
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
MERCK INDEX
m9949
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY Merck Index
CAS
84123-22-8
Created by admin on Sat Dec 16 06:50:12 GMT 2023 , Edited by admin on Sat Dec 16 06:50:12 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of SINAPINE
SALT/SOLVATE (PARENT)
Structure of SINALBIN
SALT/SOLVATE (PARENT)
Structure of SINAPINE BISULFATE
SALT/SOLVATE (PARENT)
Structure of SINAPINE CHLORIDE
SALT/SOLVATE (PARENT)
Structure of SINAPINE BROMIDE TRIHYDRATE
SALT/SOLVATE (PARENT)
Structure of SINAPINE IODIDE
SALT/SOLVATE (PARENT)
Structure of SINAPINE BROMIDE
SALT/SOLVATE (PARENT)
Structure of SINAPINE IODIDE TRIHYDRATE
SALT/SOLVATE (PARENT)
Structure of SINAPINE THIOCYANATE
SALT/SOLVATE (PARENT)
Structure of SINAPINE SULFATE
NIH
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