secnidazole

Description

secnidazole · CAS 3366-95-8 · C7H11N3O3. UNII R3459K699K. LogP: 0.15.

Identification

CAS Registry Number	3366-95-8
PubChem CID	71815
Molecular formula	C7H11N3O3
IUPAC name	1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
UNII (FDA)	R3459K699K

Computed Descriptors

Molecular Weight	185.18
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	185.08004122
Monoisotopic Mass	185.08004122
Topological Polar Surface Area	83.9
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

LogP	0.15

Physical description & handling notes

• >27.8 [ug/mL] (The mean of the results at pH 7.4)
• 135.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 133.76 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 138.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]

Regulatory Status

GHS notification summary	22.2% (2 / 9)

GHS Hazard Classification

GHS notification summary	22.2% (2 / 9)
Reported hazard statements	H302 (66.7%), H315 (11.1%), H319 (11.1%), H332 (33.3%), H335 (11.1%)

Documented Uses

• Secnidazole is indicated for treating trichomoniasis and bacterial vaginosis in patients 12 years of age and older. In other countries, it is also available as a combination product with other antibacterial drugs, such as [itraconazole].
• Secnidazole is an orally available, broad spectrum antimicrobial agent used in the treatment of bacterial vaginosis. Secnidazole is a nitroimidazole similar to metronidazole but is used as a single dose and, unlike metronidazole, has not been linked to serum enzyme elevations during therapy or to cases of clinically apparent acute liver injury.
• Breast Feeding; Lactation; Anti-Infective Agents; Antiprotozoal Agents; Nitroimidazoles
• Avoid alcohol. Avoid consumption of alcoholic beverages and preparations containing ethanol or propylene glycol during treatment with secnidazole and for at least two days after completing therapy.
• Take with or without food. Sprinkle onto applesauce, yogurt, or pudding and ingest without crushing the granules.
• Substances that are destructive to protozoans.

Synonyms

Secnidazole; 3366-95-8; Secnidazol; Flagentyl; 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; Secnidazolum; Solosec; Secnidal; 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; SYM-1219; RP 14539; Secnidazole anhydrous; PM-185184; DTXSID3045934; Ornidazole metabolite m4; RP-14539

Frequently Asked Questions

What are the CAS number and molecular formula of secnidazole?

CAS 3366-95-8; molecular formula C7H11N3O3; molecular weight — g/mol.

What other names is secnidazole known by?

Secnidazole, 3366-95-8, Secnidazol, Flagentyl, 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol, Secnidazolum.

Is secnidazole classified as hazardous?

22.2% of GHS notifications report no hazard classification (2 of 9).

What are the key physical properties of secnidazole?

LogP: 0.15.

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.