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(Q81977107)
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Clopenthixol dihydrochloride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
472.090967524
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₇Cl₃N₂OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.Cl.OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
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
0 references
InChIKey
LPWNZMIBFHMYMX-UHFFFAOYSA-N
0 references
CAS Registry Number
633-59-0
0 references
PubChem CID
12453
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51695538
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60110058
0 references
DSSTOX compound identifier
DTXCID9065318
0 references
NSC number
64087
0 references
78203
0 references
169185
0 references
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