AG000ZSD

13182-89-3 | 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate

AG000ZSD

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CAS Number	13182-89-3
Catalog Number	AG000ZSD(AGN-PC-0JLUDR)
Chemical Name	1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate
EC Number	236-131-7
IUPAC Name	2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
InChI	InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChI Key	CUUCCLJJOWSASK-UHFFFAOYSA-N
MDL Number	MFCD00693654
Molecular Formula	C13H13N3O4
Molecular Weight	275.2600
SMILES	C(C1=CC=CC=C1)(=O)OCCN1C(=NC=C1[N+](=O)[O-])C
UNII	A355C835XC
Synonyms	benzoylmetronidazole, benzoylmetronidazole monohydrate, Klion suspension, Metronidazole benzoate, 13182-89-3, Benzoyl metronidazole, Benzoylmetronidazole, Benzoylmetronildazole, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate, Flagyl S, UNII-A355C835XC, 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate, CHEBI:50688, CUUCCLJJOWSASK-UHFFFAOYSA-N, A355C835XC, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate, Metronidazole benzoate [USP:BAN], EINECS 236-131-7, Elyzol (TN), Benzoylmetronildazole;, PubChem15676, metronidazolebenzoate,powder, AC1L34YE, Oprea1_489419, KSC914Q9R, Metronidazole benzoate (USP), MLS000590415, metronidazolebenzoate,powder,bp, SCHEMBL366213, AC1Q209I, AC1Q2P33, CHEMBL1466172, CTK8B4898, KS-00000IRC, DTXSID60157221, HMS2569A06, ZINC163922, BCP28722, ANW-46629, MFCD00693654, AKOS015888108, AB06961, CCG-253836, MCULE-6617300191, NCGC00160502-01, AC-14443, AJ-16082, AK-57715, AS-13537, BC207709, CJ-02105, I623, metronidazolebenzoatemetronidazolebenzoatebp, SC-46656, SMR000217345, ZB008053, AB1009502, RT-000481, FT-0628935, ST24030112, D08214, 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl Benzoate, 5-nitro-2-methyl-1-(2-benzoyloxyethyl)-imidazole, A806316, 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate, I01-0039, benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester, Benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester, Metronidazole benzoate; 2-(2-Methyl-5-nitro-1Himidazol-1-yl)ethyl benzoate, Vertisal, Elyzol, Flegyl, Klion suspension, C13H13N3O4, CID83213, AR-1C6871, C13-H13-N3-O4, CS-O-30976, 1H-imidazol-1-etanol, 2-metil-5-nitro-, 1-benzoato, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylbenzoate, Imidazole-1-ethanol 2-methyl-5-nitro-benzoate (6CI), 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol benzoate, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester), Imidazole-1-ethanol 2-methyl-5-nitro-benzoate (ester) (8CI), 1H-Imidazole-1-ethanol 2-methyl-5-nitro-benzoate (ester) (9CI), 92953-54-3,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.091g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.264g/mol
Monoisotopic Mass	275.091g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	89.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number