Basic information
- CAS
101530-10-3- Standard SMILES
N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1- InChIKey
ZRTQSJFIDWNVJW-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3S2
- Average molar mass
- 319.8 g/mol
Overview
Lanoconazole is an imidazole antifungal drug and a conazole antifungal drug.
Names & identifiers
- Preferred name
- Lanoconazole
- IUPAC
- (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
- English name
- Lanoconazole
- Molecular formula
- C14H10ClN3S2
- Molecular weight
- 319.83
Names & synonyms
lanoconazole101530-10-3LatoconazoleAstatNND-318TJN-318Lanoconazole [INN]126509-69-1LanoconazolBRN 4819111Astat (TN)LANOCONAZOLE [MI]
Show more names
1H-Imidazole-1-acetonitrile, α-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-
LANOCONAZOLE [JAN](4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrileLANOCONAZOLE [MART.]LANOCONAZOLE [WHO-DD]4E7858311F(+-)-(E)-(4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile(E)-alpha-(4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1H-imidazole-1-acetonitrile(+-)-alpha-((E)-4-(o-Chlorophenyl)-1,3-dithiolan-2-ylidene)imidazole-1-acetonitrile
Database identifiers
- CAS
101530-10-3、126509-69-1- PubChem CID
- 3002820
- ChEMBL
CHEMBL1555126- ChEBI
CHEBI:31761- UNII
- 4E7858311F
- EC Number
- 635-180-5、941-710-9
- Nikkaji
- J3.085.745C、J436.913K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 477.584 · 477.584±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.434 · 1.434±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.428 · 4.428±0.10(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (58.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (58.2%)
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
QD - Dermatologicals
Suppliers4 total
ecochem international chemical broker[email protected]
广东利玮医药有限公司[email protected]
CHEMICAL LAND21[email protected]
kemikalieimport[email protected]
Additional notes
DefinitionChEBI: Lanoconazole is a conazole antifungal drug and an imidazole antifungal drug.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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