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Description

Butoconazole · CAS 64872-76-0 · C19H17Cl3N2S. UNII 0Q771797PH. Melting Point: 159 °C (decomposition); Solubility: 8.18e-04 g/L; LogP: 6.7.

Identification

CAS Registry Number	64872-76-0
PubChem CID	47472
Molecular formula	C19H17Cl3N2S
IUPAC name	1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
UNII (FDA)	0Q771797PH

Computed Descriptors

Molecular Weight	411.8
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	410.017803
Monoisotopic Mass	410.017803
Topological Polar Surface Area	43.1
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Melting Point	159 °C (decomposition)
Solubility	8.18e-04 g/L
LogP	6.7

Physical description & handling notes

• Solid
• ~159°C with decomposition (nitrate salt)
• Nitrate salt: 0.26 mg/ml (practically insoluble)
• 185.55 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 176.27 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 186.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Documented Uses

• For the local treatment of vulvovaginal candidiasis (infections caused by Candida)
• Breast Feeding; Lactation; Anti-Infective Agents; Antifungal Agents; Dermatologic Agents;
• Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
• Established Pharmacologic Class [EPC] - Azole Antifungal
• Chemical Structure [CS] - Azoles
• Butoconazole is an Azole Antifungal.

Synonyms

Butoconazole; 64872-76-0; Butoconazol; Butoconazolum; Gynofort; RS 35887-10-3; NSC-758658; 0Q771797PH; 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; CHEBI:3240; 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole; 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-; 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole; (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)sulfanyl)butyl)-1H-imidazole; (+-)-1-(4-(4-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole

Frequently Asked Questions

What are the CAS number and molecular formula of Butoconazole?

CAS 64872-76-0; molecular formula C19H17Cl3N2S; molecular weight — g/mol.

What other names is Butoconazole known by?

Butoconazole, 64872-76-0, Butoconazol, Butoconazolum, Gynofort, RS 35887-10-3.

What are the key physical properties of Butoconazole?

Melting Point: 159 °C (decomposition); Solubility: 8.18e-04 g/L; LogP: 6.7.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.