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Details

Stereochemistry RACEMIC
Molecular Formula C19H21ClN2S.C4H4O4
Molecular Weight 460.974
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOROTEPINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(Cl)C=C4

InChI

InChIKey=GWKBZIADWSOIQV-BTJKTKAUSA-N
InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;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
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H21ClN2S
Molecular Weight 344.901
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 20:15:15 UTC 2019
Edited
by admin
on Mon Oct 21 20:15:15 UTC 2019
Record UNII
M5Z1H0WN1S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOROTEPINE MALEATE
WHO-DD  
Common Name English
(+/-)-CLOROTEPINE MALEATE
Common Name English
PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
CLOROTEPINE MALEATE, (+/-)-
Common Name English
CLOROTEPINE MALEATE [WHO-DD]
Common Name English
OCTOCLOTHEPIN MALEATE
Common Name English
Code System Code Type Description
CAS
26791-18-4
Created by admin on Mon Oct 21 20:15:15 UTC 2019 , Edited by admin on Mon Oct 21 20:15:15 UTC 2019
NON-SPECIFIC STEREOCHEMISTRY
CAS
4789-68-8
Created by admin on Mon Oct 21 20:15:15 UTC 2019 , Edited by admin on Mon Oct 21 20:15:15 UTC 2019
PRIMARY
PUBCHEM
11957654
Created by admin on Mon Oct 21 20:15:15 UTC 2019 , Edited by admin on Mon Oct 21 20:15:15 UTC 2019
PRIMARY
EVMPD
SUB01372MIG
Created by admin on Mon Oct 21 20:15:15 UTC 2019 , Edited by admin on Mon Oct 21 20:15:15 UTC 2019
PRIMARY
EPA CompTox
4789-68-8
Created by admin on Mon Oct 21 20:15:15 UTC 2019 , Edited by admin on Mon Oct 21 20:15:15 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE