Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01418)
Name
Secnidazole
Synonyms    Click to Show/Hide the Synonyms of This API
Secnidazole; 3366-95-8; Secnidazol; Flagentyl; Secnidazolum; Secnidazolum [INN-Latin]; RP 14539; PM 185184; 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; 1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol; PM-185184; Secnidazole (Flagentyl); SYM-1219; 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol; RP-14539; MLS000559043; NCGC00095158-01; SMR000149359; RP-14539;PM-185184; DSSTox_CID_25934; DSSTox_RID_81233; 1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-; DSSTox_GSID_45934; Solosec; Secnidazol [INN-Spanish]; CAS-3366-95-8; 1346603-27-7; SR-01000685111; EINECS 222-134-0; alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol; Sindose; Secnil; 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol; Secnidal (TN); Secnidazole-[d6]; Secnidazole [USAN:INN:BAN:DCF]; SYM 1219; Solosec (TN); Secnidazole hemihydrate; Opera_ID_1811; Spectrum2_000033; Spectrum3_001956; alpha,2-Dimethyl-5-nitroimidazole-1-ethanol; Secnidazole (USAN/INN); 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol; Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-; BSPBio_003556; MLS000759496; MLS001201813; MLS001424126; MLS006011434; SCHEMBL363924; SPECTRUM1505304; SPBio_000125; CHEMBL498847; DTXSID3045934; CHEBI:94433; KBio3_002874; CHEBI:140628; HMS1922B12; HMS2051C20; HMS2090N15; HMS2231G11; HMS3369N08; HMS3393C20; HMS3656G14; HMS3714I05; Pharmakon1600-01505304; BCP12459; HY-B1118; Tox21_111457; ANW-41634; BBL010784; BDBM50349330; CCG-39993; MFCD00864656; NSC759812; STK590474; AKOS005512552; AKOS025149490; Tox21_111457_1; CCG-100896; CS-4641; DB12834; KS-1191; MCULE-8220679702; NC00146; NSC-759812; SB19197; VA11736; NCGC00095158-02; NCGC00095158-03; NCGC00095158-04; NCGC00095158-05; NCGC00095158-08; AC-12065; AK163575; H737; SBI-0207037.P001; Secnidazole 100 microg/mL in Acetonitrile; AB0013222; DB-000688; FT-0601624; S0911; S2537; SW197526-3; D07353; J10074; M-2516; 1-(2- hydroxypropyl)-2-methyl-5-nitroimidazole; AB00456738-13; AB00456738-15; AB00456738_16; AB00456738_17; 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol; 366S958; A821901; J-019291; Q4413249; SR-01000685111-4; SR-01000685111-6; SR-01000685111-7; BRD-A70083328-001-02-9; BRD-A70083328-001-12-8; 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2- ol
Clinical Status
Approved
PubChem CID
71815
Formula
C7H11N3O3
Canonical SMILES
CC1=NC=C(N1CC(C)O)[N+](=O)[O-]
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=71815"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 185.18 Topological Polar Surface Area 83.9
XlogP 0.2 Complexity 194
Heavy Atom Count 13 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Secnidazole 2 g granule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Eudragit Ne30D (Ethyl Acrylate Methyl Methacrylate Copolymer); Polyethylene Glycol 4000; Povidone; Sugar Spheres; Talc
                   Dosage Form Granule
                   Company
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [1]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [2]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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