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64211-46-7 molecular structure
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(Z)-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine; nitric acid

ChemBase ID: 175964
Molecular Formular: C18H14Cl4N4O4
Molecular Mass: 492.14016
Monoisotopic Mass: 489.97691567
SMILES and InChIs

SMILES:
c1c(ccc(c1Cl)CO/N=C(/c1c(cc(cc1)Cl)Cl)\Cn1cncc1)Cl.[N+](=O)([O-])O
Canonical SMILES:
Clc1ccc(c(c1)Cl)CO/N=C(/c1ccc(cc1Cl)Cl)\Cn1cncc1.[O-][N+](=O)O
InChI:
InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;
InChIKey:
WVNOAGNOIPTWPT-NDUABGMUSA-N

Cite this record

CBID:175964 http://www.chembase.cn/molecule-175964.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine; nitric acid
IUPAC Traditional name
acid, nitric; salongo
Synonyms
(Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-[(2,4-Dichlorophenyl)methyl]oxime Mononitrate
Sgd-301-76
Ro-13-8996
Myfungar
Oceral
Oxistat
Oxiconazole Nitrate
CAS Number
64211-46-7
PubChem SID
164231874
PubChem CID
9556529

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC O846800 external link Add to cart
PubChem 9556529 external link
Data Source Data ID Price
TRC
O846800 external link Add to cart Please log in.
Data Source Data ID
PubChem 9556529 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.312205  LogD (pH = 7.4) 5.7768106 
Log P 5.8387666  Molar Refractivity 105.947 cm3
Polarizability 40.834076 Å3 Polar Surface Area 39.41 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Off-White Solid expand Show data source
Melting Point
137-138°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O846800 external link
Topical antimycotic agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Polak, A., et al.: Arzneim.-Forsch., 32, 17 (1982)
  • • Beggs, W.H., et al.: IRCS Med. Sci., 11, 677 (1982)
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PATENTS

PATENTS

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INTERNET

INTERNET

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