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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24NO5.Br
Molecular Weight 390.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SINAPINE BROMIDE

SMILES

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

InChI

InChIKey=UBILKKSSRQKUSF-UHFFFAOYSA-N
InChI=1S/C16H23NO5.BrH/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

HIDE SMILES / InChI

Molecular Formula C16H23NO5
Molecular Weight 309.3575
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:29:09 GMT 2023
Edited
by admin
on Sat Dec 16 14:29:09 GMT 2023
Record UNII
YN7AT3G8PB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SINAPINE BROMIDE
Common Name English
SINAPINE BROMIDE ANHYDROUS [MI]
Common Name English
ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, BROMIDE
Common Name English
SINAPINE BROMIDE ANHYDROUS
Common Name English
ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-, BROMIDE (1:1)
Systematic Name English
CHOLINE, BROMIDE, 4-HYDROXY-3,5-DIMETHOXYCINNAMATE
Common Name English
Code System Code Type Description
CAS
6484-81-7
Created by admin on Sat Dec 16 14:29:10 GMT 2023 , Edited by admin on Sat Dec 16 14:29:10 GMT 2023
PRIMARY
PUBCHEM
133082171
Created by admin on Sat Dec 16 14:29:10 GMT 2023 , Edited by admin on Sat Dec 16 14:29:10 GMT 2023
PRIMARY
MERCK INDEX
m9949
Created by admin on Sat Dec 16 14:29:10 GMT 2023 , Edited by admin on Sat Dec 16 14:29:10 GMT 2023
PRIMARY
FDA UNII
YN7AT3G8PB
Created by admin on Sat Dec 16 14:29:10 GMT 2023 , Edited by admin on Sat Dec 16 14:29:10 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY