U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H23N3.2C4H4O4
Molecular Weight 513.5396
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 10-(3-DIMETHYLAMINOPROPYL)-10,11-DIHYDRO-(5H)-DIBENZO-(B,E)(1,4)-DIAZEPINE DIMALEATE

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN(C)CCCN1CC2=CC=CC=C2NC3=CC=CC=C13

InChI

InChIKey=UDNQKBXAZHPTGT-SPIKMXEPSA-N
InChI=1S/C18H23N3.2C4H4O4/c1-20(2)12-7-13-21-14-15-8-3-4-9-16(15)19-17-10-5-6-11-18(17)21;2*5-3(6)1-2-4(7)8/h3-6,8-11,19H,7,12-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI

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

Molecular Formula C18H23N3
Molecular Weight 281.3953
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:10:22 UTC 2019
Edited
by admin
on Tue Oct 22 09:10:22 UTC 2019
Record UNII
O71459OD4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-(3-DIMETHYLAMINOPROPYL)-10,11-DIHYDRO-(5H)-DIBENZO-(B,E)(1,4)-DIAZEPINE DIMALEATE
Systematic Name English
10H-DIBENZO(B,E)(1,4)DIAZEPINE-10-PROPANAMINE, 5,11-DIHYDRO-N,N-DIMETHYL-, (2Z)-2-BUTENEDIOATE (1:2)
Systematic Name English
5H-DIBENZO(B,E)(1,4)DIAZEPINE, 10-(3-(DIMETHYLAMINO)PROPYL)-10,11-DIHYDRO-, MALEATE (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
133082446
Created by admin on Tue Oct 22 09:10:22 UTC 2019 , Edited by admin on Tue Oct 22 09:10:22 UTC 2019
PRIMARY
CAS
23294-01-1
Created by admin on Tue Oct 22 09:10:22 UTC 2019 , Edited by admin on Tue Oct 22 09:10:22 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE