Basic information
- CAS
61318-91-0- Standard SMILES
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O- InChIKey
CRKGMGQUHDNAPB-UHFFFAOYSA-N- Molecular formula
- C18H16Cl3N3O3S
- Average molar mass
- 460.8 g/mol
- Monoisotopic mass
- 458.997796
Overview
Sulconazole nitrate is an organic nitrate salt, an imidazole antifungal drug and a conazole antifungal drug.
Names & identifiers
- Preferred name
- Sulconazole Nitrate
- IUPAC
- 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
- English name
- Sulconazole nitrate
- Molecular formula
- C18H16Cl3N3O3S
- Molecular weight
- 460.76
Names & synonyms
Sulconazole nitrate61318-91-0SulcosynDTXSID2045490RS-44872NSC-757849RS-44872-00-10-31T89100D5UDTXCID0025490(+-)-1-(2,4-Dichloro-beta-((4-chlorobenzyl)thio)phenethyl)imidazole nitrateRefChem:564881H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, Mononitrate,(+-)-
Show more names
ExeldermMykrs44872RS 44872-00-10-3,mononitrate,(+-)-NitrateSulconazoleSulconazole Nitrate (200 mg)
82382-23-8Sulconazole mononitrateSulconazolenitrate1-[2-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrateSulconazole nitrate saltSulconazole (mononitrate)Sulconazole (nitrate)1-(2-((4-Chlorobenzyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate
Database identifiers
- CAS
61318-91-0- PubChem CID
- 65495
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility48.7 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section184.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 130.5 · 130.5-132℃
- storage temp.
- room temp
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 0.1 mg/ml
- form
- powder to crystal
- color
- white
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
- InChIKey
- CRKGMGQUHDNAPB-UHFFFAOYSA-N
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
sulconazole nitrate
DILI Negative
Topical
DOI:10.1016/j.drudis.2019.09.022
Safety data
- wgk
- 3
- rtecs
- NI4475000
- hs_code
- 2933290000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
SULCONAZOLE NITRATE
Azoles [CS]; Azole Antifungal [EPC]
MeSH Pharmacological ClassificationSubstances 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.
Applications
UsesSulconazole Nitrate is an antifungal agent which prevents fungal growth by inhibiting sterol synthesis.
UsesH2 antihistamine
UsesSulconazole Nitrate is an antifungal agent which prevents fungal growth by inhibiting sterol synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers148 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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