Econazole nitrate 10g

CAT: 0628-A10342-10000Size: 10000 mgDry Ice: NoHazardous: No

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CAT#:0628-A10342-10000Size:10000 mg

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CAS Number

24169-02-6

Chemical Information

Econazole Nitrate

Econazole nitrate is a white crystalline powder. (NTP, 1992)

CAS Number	24169-02-6
PubChem CID	68589
IUPAC Name	1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Molecular Formula	C18H16Cl3N3O4
Molecular Weight	444.7
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	404

SMILES

C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

InChI

InChI=1S/C18H15Cl3N2O.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

DDXORDQKGIZAME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24169-02-6

CID: 68589

Formula: C18H16Cl3N3O4

MW: 444.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	444.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	443.020639
Monoisotopic Mass	443.020639
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
A10342-5000	Econazole nitrate 5g
A10342-1000	Econazole nitrate 1g
A10342-500	Econazole nitrate 500mg
A10342-10mM-D	Econazole nitrate 10mM * 1mL in DMSO
A16090-10000	Butamben 10g
A15686-10000	Sesamol 10g
A17814-10000	Diclofenac 10g
A17694-10000	Citronellal 10g
A17678-10000	Sulfacetamide 10g
A17550-10000	Naproxen 10g

Catalog	Name
B1937-S	Econazole nitrate
HY-B0453-01	Econazole (nitrate)