AG00I6MP

3366-95-8 | 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol

AG00I6MP

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CAS Number	3366-95-8
Catalog Number	AG00I6MP(AGN-PC-0R96NO)
Chemical Name	1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol
EC Number	222-134-0
IUPAC Name	1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI	InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChI Key	KPQZUUQMTUIKBP-UHFFFAOYSA-N
MDL Number	MFCD00864656
Molecular Formula	C7H11N3O3
Molecular Weight	185.1805
NSC Number	759812
SMILES	CC=1N(C(=CN1)[N+](=O)[O-])CC(C)O
Synonyms	1-(2'-hydroxypropyl)-2-methyl-5- nitroimidazole, 14,539 RP, Minovag, Sabima, Secnidal, secnidazole, Secnol, Secnidazole, 3366-95-8, Secnidazol, Flagentyl, Secnidazolum, Secnidazolum [INN-Latin], RP 14539, PM 185184, Secnidazol [INN-Spanish], 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, EINECS 222-134-0, alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol, 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol, RP-14539, MLS000559043, 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol, NCGC00095158-01, SMR000149359, alpha,2-Dimethyl-5-nitroimidazole-1-ethanol, 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol, Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-, Secnidazole hemihydrate, DSSTox_CID_25934, DSSTox_RID_81233, DSSTox_GSID_45934, Solosec, CAS-3366-95-8, SR-01000685111, Sindose, Secnil, Secnidazole [INN:BAN:DCF], Secnidal (TN), Secnidazole [USAN:INN:BAN:DCF], SYM 1219, Solosec (TN), AC1L2GUM, Opera_ID_1811, Spectrum2_000033, Spectrum3_001956, Secnidazole (USAN/INN), 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol, BSPBio_003556, MLS000759496, MLS001201813, MLS001424126, MLS006011434, SCHEMBL363924, SPECTRUM1505304, SPBio_000125, CHEMBL498847, DTXSID3045934, CHEBI:94433, CTK8B3024, KBio3_002874, CHEBI:140628, HMS1922B12, HMS2051C20, HMS2090N15, HMS2231G11, HMS3369N08, HMS3393C20, HMS3656G14, HMS3714I05, Pharmakon1600-01505304, AC1Q2098, BCP12459, HY-B1118, KS-00000H1U, 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, AC-12065, AK163575, CPD000149359, H737, SAM001246716, SC-50820, SBI-0207037.P001, 14,539 RP, AB0013222, AB1004868, DB-000688, LS-174427, FT-0601624, S0911, S2537, SW197526-3, D07353, J10074, M-2516, PM 185184; RP 14539; Sindose; Secnil, 1-(2- hydroxypropyl)-2-methyl-5-nitroimidazole, 1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-, AB00456738-13, AB00456738-15, AB00456738_16, AB00456738_17, PM 185184, RP 14539, 1-(2'-hydroxypropyl)-2-methyl-5- nitroimidazole, 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol, 366S958, A821901, I06-0707, J-019291, SR-01000685111-4, SR-01000685111-6, SR-01000685111-7, (RS)-1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol, BRD-A70083328-001-02-9, BRD-A70083328-001-12-8, 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2- ol, seknidazol, THIOACETAMIDE, D0V5IW, C7H11N3O3, UNII-R3459K699K, Secnidazole [BAN:DCF:INN], CID71815, C7-H11-N3-O3, CS-O-02361, R3459K699K, |A,2-Dimethyl-5-nitro-1Himidazole-1-ethanol, 1-(2-hydroxypropyl)-2-methyl-5-nitroimidazole, 1H-Imidazol-1-etanol, alfa,2-dimetil-5-nitro-, Imidazole-1-ethanol, .alpha.,2-dimethyl-5-nitro-, 1H-Imidazole-1-ethanol, .alpha.,2-dimethyl-5-nitro-, Imidazole-1-ethanol alpha 2-dimethyl-5-nitro-(7CI8CI), Imidazol-1-etanol,.Alfa.,2-Dimetil-5-nitro-(7CI, 8CI),

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.08g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.183g/mol
Monoisotopic Mass	185.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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