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Details

Stereochemistry RACEMIC
Molecular Formula C18H22N2.C4H4O4
Molecular Weight 382.4528
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(2'-DIMETHYLAMINOETHYL)-4-AZA-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTENE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCC1C2=CC=CC=C2CCC3=C1N=CC=C3

InChI

InChIKey=IDUZVYISKGXJQI-BTJKTKAUSA-N
InChI=1S/C18H22N2.C4H4O4/c1-20(2)13-11-17-16-8-4-3-6-14(16)9-10-15-7-5-12-19-18(15)17;5-3(6)1-2-4(7)8/h3-8,12,17H,9-11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C18H22N2
Molecular Weight 266.3807
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 12:03:35 UTC 2019
Edited
by admin
on Tue Oct 22 12:03:35 UTC 2019
Record UNII
RMW7PLF027
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2'-DIMETHYLAMINOETHYL)-4-AZA-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTENE MALEATE
Common Name English
5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE-11-ETHANAMINE, 6,11-DIHYDRO-N,N-DIMETHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
23239-56-7
Created by admin on Tue Oct 22 12:03:35 UTC 2019 , Edited by admin on Tue Oct 22 12:03:35 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE