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Losulazine Hydrochloride

HCID 54749
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
81435-67-8
Standard SMILES
Cl.O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIKey
MGOGSSZOPFFXLA-UHFFFAOYSA-N
Molecular formula
C27H23ClF4N4O3S
Average molar mass
595 g/mol
Monoisotopic mass
594.1115521

Overview

structure given in first source

Names & identifiers

Preferred name
Losulazine Hydrochloride
IUPAC
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone;hydrochloride
English name
Losulazine
Molecular weight
0

Names & synonyms

Losulazine hydrochloride81435-67-8U-54,669F8PK0TPX321U-54669FDTXSID50231105Piperazine, 1-((4-fluorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-, monohydrochlorideU 54,669FRefChem:154120DTXCID10153596Losulazine HClLosulazine hydrochloride [USAN]
Show more names
U 54669FPiperazine, 1-((4-fluorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4- quinolinyl)amino)benzoyl)-, monohydrochloride
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone;hydrochlorideLosulazine hydrochloride (USAN)Losulazine monohydrochloridePiperazine,1-[(4-fluorophenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]-, monohydrochlorideUNII-8PK0TPX3211-((p-Fluorophenyl)sulfonyl)-4-(p-((7-(trifluoromethyl)-4-quinolyl)amino)benzoyl)piperazine monohydrochlorideSCHEMBL123727CHEMBL2107453

Database identifiers

CAS
81435-67-8
PubChem CID
54749
DTXSID
DTXSID50231105

Properties

Computed structural propertiesFilling in

Topological polar surface area
91 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
40
Formal charge
0
Complexity
938

Physicochemical properties

FDA UNII
8 PK0TPX321 · 8PK0TPX321

Related reactions

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Compound notes

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ChEMBL
CHEMBL2107453
UNII
8PK0TPX321