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Details

Stereochemistry ACHIRAL
Molecular Formula C26H25Cl3N2O.ClH
Molecular Weight 524.309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HETOLIN HYDROCHLORIDE

SMILES

Cl.CN1CCN(CC1)C(=O)CC(C2=CC=C(Cl)C=C2)(C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=WAHLMMKQTIGONH-UHFFFAOYSA-N
InChI=1S/C26H25Cl3N2O.ClH/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21;/h2-13H,14-18H2,1H3;1H

HIDE SMILES / InChI
Molecular Formula C26H25Cl3N2O
Molecular Weight 487.849
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Approval Year

Unknown
139594
Patents

Patents

20100125089
3
20110245191
2
20130256170
2
20130281392
2
20150011601
2
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:45 GMT 2023
Edited
by admin
on Fri Dec 15 18:55:45 GMT 2023
Record UNII
81262DMK68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HETOLIN HYDROCHLORIDE
MI  
Common Name English
1-METHYL-4-(3,3,3-TRIS(4-CHLOROPHENYL)-1-OXOPROPYL)PIPERAZINE HYDROCHLORIDE
Systematic Name English
HETOLIN HYDROCHLORIDE [MI]
Common Name English
1-PROPANONE, 3,3,3-TRIS(4-CHLOROPHENYL)-1-(4-METHYL-1-PIPERAZINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
DICRODEN
Common Name English
Code System Code Type Description
MERCK INDEX
m231
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID70173139
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY
FDA UNII
81262DMK68
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY
PUBCHEM
74763
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-758-5
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY
CAS
1949-07-1
Created by admin on Fri Dec 15 18:55:45 GMT 2023 , Edited by admin on Fri Dec 15 18:55:45 GMT 2023
PRIMARY
Related Record Type Details
Structure of HETOLIN
ACTIVE MOIETY
NIH
NCATS
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DISCLAIMER
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