SINAPINE IODIDE TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24NO5.I.3H2O
Molecular Weight	491.3158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MRWACGLPKWHIQX-UHFFFAOYSA-N

InChI=1S/C16H23NO5.HI.3H2O/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;3*1H2

HIDE SMILES / InChI

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	HI
Molecular Weight	127.9124
Charge	0
Count

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

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:21:27 GMT 2023` Edited by `admin` on `Sat Dec 16 14:21:27 GMT 2023`
Record UNII	8OG9UA7OH1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SINAPINE IODIDE TRIHYDRATE

Common Name

English

SINAPINE IODIDE TRIHYDRATE [MI]

Common Name

English

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

Common Name

English

CHOLINE, IODIDE, 4-HYDROXY-3,5-DIMETHOXYCINNAMATE, TRIHYDRATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

133083134

Created by admin on Sat Dec 16 14:21:27 GMT 2023 , Edited by admin on Sat Dec 16 14:21:27 GMT 2023

PRIMARY

FDA UNII

8OG9UA7OH1

Created by admin on Sat Dec 16 14:21:27 GMT 2023 , Edited by admin on Sat Dec 16 14:21:27 GMT 2023

PRIMARY

CAS

6484-86-2

Created by admin on Sat Dec 16 14:21:27 GMT 2023 , Edited by admin on Sat Dec 16 14:21:27 GMT 2023

PRIMARY

MERCK INDEX

m9949

Created by admin on Sat Dec 16 14:21:27 GMT 2023 , Edited by admin on Sat Dec 16 14:21:27 GMT 2023

PRIMARY

Related Record Type Details


					09211A0HHL

SINAPINE

PARENT -> SALT/SOLVATE


					NV0FI5QCI4

SINAPINE IODIDE

ANHYDROUS->SOLVATE

Related Record Type Details


					09211A0HHL

SINAPINE

ACTIVE MOIETY