WAY-100289 MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H27N3O3.C4H4O4
Molecular Weight	473.5188
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0
Stereo Comments	MESO

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)NC(=O)C3=CC=CC=C3OCC4CC4

InChI

InChIKey=WSQXJOSWCXAIIL-VORWGQCMSA-N

InChI=1S/C20H27N3O3.C4H4O4/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13;5-3(6)1-2-4(7)8/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,16-;

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	C20H27N3O3
Molecular Weight	357.4467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED
StereoComments	MESO

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:32 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:32 GMT 2023`
Record UNII	8RXE45NW24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WAY-100289 MALEATE

Code

English

BENZAMIDE, 2-(CYCLOPROPYLMETHOXY)-N-(((8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)AMINO)CARBONYL)-, ENDO-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

8RXE45NW24

Created by admin on Fri Dec 15 15:41:32 GMT 2023 , Edited by admin on Fri Dec 15 15:41:32 GMT 2023

PRIMARY

CAS

136013-70-2

Created by admin on Fri Dec 15 15:41:32 GMT 2023 , Edited by admin on Fri Dec 15 15:41:32 GMT 2023

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Related Record Type Details


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MALEIC ACID

PARENT -> SALT/SOLVATE