1.0 2011-09-21 00:15:39 UTC 2015-07-21 06:57:15 UTC FDB022545 m-Chlorohippuric acid m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans (PMID: 3107223) [HMDB] (3-Chloro-benzoylamino)-acetic acid (3-Chlorobenzoylamino)acetic acid 3-Chlorohippate 3-Chlorohippic acid M-chlorohippurate M-chlorohippuric acid N-(3-Chlorobenzoyl)glycine C9H8ClNO3 213.618 213.019270834 2-[(3-chlorophenyl)formamido]acetic acid m-chlorohippuric acid 57728-59-3 OC(=O)CNC(=O)C1=CC(Cl)=CC=C1 InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) ICYUIIJXZHPESK-UHFFFAOYSA-N belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Hippuric acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 3-halobenzoic acids and derivatives Aryl chlorides Benzoyl derivatives Carbonyl compounds Carboxylic acids Chlorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 3-halobenzoic acid or derivatives Alpha-amino acid or derivatives Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Chlorobenzene Halobenzene Halobenzoic acid or derivatives Hippuric acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Solid logp 0.97 ALOGPS logs -2.81 ALOGPS solubility 3.28e-01 g/l ALOGPS logp 1.13 ChemAxon pka_strongest_acidic 3.19 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2-[(3-chlorophenyl)formamido]acetic acid ChemAxon average_mass 213.618 ChemAxon mono_mass 213.019270834 ChemAxon smiles OC(=O)CNC(=O)C1=CC(Cl)=CC=C1 ChemAxon formula C9H8ClNO3 ChemAxon inchi InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) ChemAxon inchikey ICYUIIJXZHPESK-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 50.92 ChemAxon polarizability 19.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22583 Specdb::CMs 38015 Specdb::CMs 164210 Specdb::MsMs 316153 Specdb::MsMs 316154 Specdb::MsMs 316155 Specdb::MsMs 362329 Specdb::MsMs 362330 Specdb::MsMs 362331 Specdb::MsMs 2343281 Specdb::MsMs 2343282 Specdb::MsMs 2343283 Specdb::MsMs 2594917 Specdb::MsMs 2594918 Specdb::MsMs 2594919 HMDB01309 #<Reference:0x000055ce31f0d160> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823