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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27N3O3.C4H4O4
Molecular Weight 473.5188
Optical Activity NONE
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0
Stereo Comments MESO

SHOW SMILES / InChI
Structure of WAY-100289 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)NC(=O)C3=C(OCC4CC4)C=CC=C3

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 C20H27N3O3
Molecular Weight 357.4467
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity NONE
StereoComments MESO

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:23 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:23 UTC 2019
Record UNII
8RXE45NW24
Record Status Validated (UNII)
Record Version
  • Download
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
CAS
136013-70-2
Created by admin on Tue Oct 22 12:35:24 UTC 2019 , Edited by admin on Tue Oct 22 12:35:24 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE