EMEDASTINE MONOFUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H26N4O.C4H4O4
Molecular Weight	418.4867
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CCOCCN1C2=CC=CC=C2N=C1N3CCCN(C)CC3

InChI

InChIKey=FGFODSDYSQTNOS-WLHGVMLRSA-N

InChI=1S/C17H26N4O.C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C17H26N4O
Molecular Weight	302.4145
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:11:21 UTC 2023` Edited by `admin` on `Fri Dec 15 20:11:21 UTC 2023`
Record UNII	1P089Y932J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EMEDASTINE MONOFUMARATE

Common Name

English

1H-BENZIMIDAZOLE, 1-(2-ETHOXYETHYL)-2-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

21893787