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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24NO5.CNS.H2O
Molecular Weight 386.463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SINAPINE THIOCYANATE MONOHYDRATE

SMILES

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

InChI

InChIKey=FBRGYMCANVAEDA-UHFFFAOYSA-N
InChI=1S/C16H23NO5.CHNS.H2O/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;2-1-3;/h6-7,10-11H,8-9H2,1-5H3;3H;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 CHNS
Molecular Weight 59.09
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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 14:05:37 GMT 2023
Edited
by admin
on Sat Dec 16 14:05:37 GMT 2023
Record UNII
WP1O69G9Q4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SINAPINE THIOCYANATE MONOHYDRATE
Common Name English
ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-, THIOCYANATE, HYDRATE (1:1:1)
Official Name English
ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, THIOCYANATE, MONOHYDRATE
Common Name English
CHOLINE, THIOCYANATE, 4-HYDROXY-3,5-DIMETHOXYCINNAMATE, MONOHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
133082253
Created by admin on Sat Dec 16 14:05:37 GMT 2023 , Edited by admin on Sat Dec 16 14:05:37 GMT 2023
PRIMARY
CAS
6484-87-3
Created by admin on Sat Dec 16 14:05:37 GMT 2023 , Edited by admin on Sat Dec 16 14:05:37 GMT 2023
PRIMARY
FDA UNII
WP1O69G9Q4
Created by admin on Sat Dec 16 14:05:37 GMT 2023 , Edited by admin on Sat Dec 16 14:05:37 GMT 2023
PRIMARY
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ANHYDROUS->SOLVATE
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ACTIVE MOIETY