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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25ClN2OS.2ClH
Molecular Weight 473.887
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOPENTHIXOL DIHYDROCHLORIDE, TRANS

SMILES

Cl.Cl.OCCN1CCN(CC\C=C2/C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1

InChI

InChIKey=LPWNZMIBFHMYMX-MONHGIHASA-N
InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5+;;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H25ClN2OS
Molecular Weight 400.965
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:26:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:26:31 UTC 2023
Record UNII
L3KM17324B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOPENTHIXOL DIHYDROCHLORIDE, TRANS
Common Name English
TRANS-CLOPENTHIXOL DIHYDROCHLORIDE
Common Name English
1-PIPERAZINEETHANOL, 4-((3E)-3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, DIHYDROCHLORIDE
Common Name English
CLOPENTHIXOL HYDROCHLORIDE, TRANS
Common Name English
Code System Code Type Description
CAS
58045-22-0
Created by admin on Fri Dec 15 15:26:31 UTC 2023 , Edited by admin on Fri Dec 15 15:26:31 UTC 2023
PRIMARY
PUBCHEM
6446379
Created by admin on Fri Dec 15 15:26:31 UTC 2023 , Edited by admin on Fri Dec 15 15:26:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID60110038
Created by admin on Fri Dec 15 15:26:31 UTC 2023 , Edited by admin on Fri Dec 15 15:26:31 UTC 2023
PRIMARY
FDA UNII
L3KM17324B
Created by admin on Fri Dec 15 15:26:31 UTC 2023 , Edited by admin on Fri Dec 15 15:26:31 UTC 2023
PRIMARY
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