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Secnidazole

CAT: 0013-GTR19176369-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176369-02Size:1 ml x 10 mM (in DMSO)
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Description
Secnidazole
CAS Number
3366-95-8
Product Name Alternative
Bacterial, azole, Antibiotic, anaerobic, amoebiasis, antimicrobial, Parasite, oral, PM 185184, PM185184, PM-185184, Inhibitor, inhibit, giardiasis, Gram-negative, Gram-positive, Secnidazole, RP 14539, RP14539, RP-14539, vaginosis
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
97.85% (May vary between batches)
Solubility
DMSO:60 mg/mL (324.01 mM) ; H2O:34 mg/mL (183.61 mM) ; Ethanol:35 mg/mL (189.01 mM)
Smiles
CC (O) CN1C (C) =NC=C1[N+] ([O-]) =O
Molecular Formula
C7H11N3O3
Molecular Weight
185.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Secnidazole

Secnidazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. It has a role as an antibacterial agent, an antiprotozoal drug and an epitope. It is a member of imidazoles, a secondary alcohol and a C-nitro compound.

CAS Number3366-95-8
PubChem CID71815
IUPAC Name1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Molecular FormulaC7H11N3O3
Molecular Weight185.18
XLogP0.2
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity194
SMILES
CC1=NC=C(N1CC(C)O)[N+](=O)[O-]
InChI
InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChIKey
KPQZUUQMTUIKBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Secnidazole
CAS: 3366-95-8
CID: 71815
Formula: C7H11N3O3
MW: 185.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass185.08004122
Monoisotopic Mass185.08004122
Topological Polar Surface Area83.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity194
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FS27807-01Secnidazole

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