SINAPINE THIOCYANATE MONOHYDRATE

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

Structure Search

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

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

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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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