Nalidixic Acid
PubChem CID: 4421
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| Compound Synonyms | nalidixic acid, 389-08-2, Nalidixate, Nalidixin, NegGram, Nevigramon, Uronidix, Innoxalon, Nalidixan, Nalitucsan, Sicmylon, Unaserus, Nalidic acid, Nalidixinic acid, Wintomylon, Dixiben, Dixinal, Jicsron, Nalurin, Naxuril, Cybis, Nalix, Nogram, Urisal, Uroman, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, Acide nalidixique, Betaxina, Kusnarin, Nalidicron, Nicelate, Specifen, Specifin, Urodixin, Narigix, Negram, Poleon, Uralgin, Uriben, Uriclar, Uroneg, Uropan, Naldixic acid, Acido nalidixico, Acide nalidixico, WIN 18,320, Acidum nalidixicum, NSC-82174, Eucistin, 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, Acido nalidissico, 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, Nalidixane, NCI-C56199, 3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one, MFCD00006884, 1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-, 3-Carboxy-1-ethyl-7-methyl-1,8-naphthidin-4-one, CCRIS 2365, Acide nalidixique [INN-French], Acido nalidixico [INN-Spanish], Acidum nalidixicum [INN-Latin], HSDB 3241, 1-Ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid, EINECS 206-864-7, UNII-3B91HWA56M, WIN-18320, 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure, BRN 0750515, 3B91HWA56M, DTXSID3020912, CHEBI:100147, NSC82174, Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico, Nalidixic acid (NegGram), DTXCID70912, MLS000028504, Win 18320, 1,4-Dihydro-1-ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid, 5-25-07-00384 (Beilstein Handbook Reference), NCGC00018181-08, SMR000058264, Wintron, Nalidixic acid [USAN:USP:INN:BAN:JAN], Acid, Nalidixic, Nalidixic acid 100 microg/mL in Acetonitrile, 1,8-Naphthyridine-3-carboxylic acid,1-ethyl-1,4-dihydro-7-methyl-4-oxo-, Acido nalidissico [DCIT], Acide nalidixico [Italian], Acide nalidixique [French], NALIDIXIC ACID (MART.), NALIDIXIC ACID [MART.], Acide nalidixique (INN-French), Acido nalidixico (INN-Spanish), Acidum nalidixicum (INN-Latin), 1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid, Nalidixic, NALIDIXIC ACID (EP IMPURITY), NALIDIXIC ACID [EP IMPURITY], NALIDIXIC ACID (USP IMPURITY), NALIDIXIC ACID [USP IMPURITY], CAS-389-08-2, Nalidixic acid (USAN:USP:INN:BAN:JAN), NegGram (TN), wil 18,320, Innoxalomn, Nalidixinsaure, Eucisten, nalidixic-acid, SR-01000003086, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acid, 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure [German], Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico [Italian], NALIDIXICACID, WIN 183203, CHEMBL5, Spectrum_000918, Maybridge1_007101, Opera_ID_1064, Prestwick0_000187, Prestwick1_000187, Prestwick2_000187, Prestwick3_000187, Spectrum2_001360, Spectrum3_000075, Spectrum4_000817, Spectrum5_001540, Nalidixic acid (Standard), Nalidixic acid, >=98%, UPCMLD-DP129, NALIDIXIC ACID [MI], NCIOpen2_004342, Lopac0_000837, Oprea1_010545, SCHEMBL21736, BSPBio_000113, BSPBio_001889, KBioGR_001333, KBioSS_001398, NALIDIXIC ACID [INN], NALIDIXIC ACID [JAN], MLS001148578, MLS002303041, MLS004820190, MLS006011875, 1-ethyl-7-methyl-4-oxo-1, BIDD:GT0529, DivK1c_000058, NALIDIXIC ACID [HSDB], NALIDIXIC ACID [USAN], SPECTRUM1500756, SPBio_001579, SPBio_002034, NALIDIXIC ACID [VANDF], BPBio1_000125, NALIDIXIC ACID [WHO-DD], UPCMLD-DP129:001, BDBM21691, GTPL12773, HMS500C20, HMS561K17, HY-B0398R, KBio1_000058, KBio2_001398, KBio2_003966, KBio2_006534, KBio3_001109, J01MB02, NINDS_000058, HMS1921G10, HMS2092K04, HMS2232H24, HMS3259O13, HMS3374G11, HMS3656K05, Pharmakon1600-01500756, Nalidixic acid (JP18/USP/INN), Nalidixic acid, analytical standard, ALBB-021275, HY-B0398, Tox21_110835, Tox21_201477, Tox21_302754, BBL012279, CCG-39298, NALIDIXIC ACID [ORANGE BOOK], NSC757432, STK735579, 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxilic acid, AKOS000120074, Tox21_110835_1, AN16320, DB00779, NC00494, NSC-757432, SDCCGSBI-0050814.P004, IDI1_000058, NCGC00018181-01, NCGC00018181-02, NCGC00018181-03, NCGC00018181-04, NCGC00018181-05, NCGC00018181-06, NCGC00018181-07, NCGC00018181-09, NCGC00018181-10, NCGC00018181-12, NCGC00018181-13, NCGC00021730-03, NCGC00021730-04, NCGC00021730-05, NCGC00021730-06, NCGC00021730-07, NCGC00256581-01, NCGC00259028-01, AS-13289, NCI60_041807, SMR004703506, SY049448, WLN: T66 BN EV JNJ B2 DVQ I1, Nalidixic acid 100 microg/mL in Methanol, SBI-0050814.P003, DB-049349, Nalidixic acid 1000 microg/mL in Methanol, 1, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-, N0490, NS00009829, S2328, SW219624-1, 1-Ethyl-1,8-naphthyridine-3-carboxilic acid, 1-Ethyl-1,8-naphthyridine-3-carboxylic acid, EN300-20573, VU0239598-6, C05079, D00183, D91720, Nalidixic acid, meets USP testing specifications, Q281082, SR-01000003086-4, SR-01000003086-6, BRD-K47886988-001-21-4, BRD-K47886988-001-22-2, BRD-K47886988-323-03-0, SR-01000003086-10, F0850-6751, Z104478940, 3-CARBOXY-1-ETHYL-7-METHYL-1,8-NAPTHIDIN-4-ONE, 1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylic acid, Nalidixic acid, European Pharmacopoeia (EP) Reference Standard, Nalidixic acid, United States Pharmacopeia (USP) Reference Standard, 1-ETHYL-7-METHYL-1,4-DIHYDRO-1,8-NAPTHYRIDIN-4-ONE-CARBOXYLIC ACID, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, 1-ETHYL-1,4-DIHYDRO-7-METHYL-4-OXO-1,8-NAPTHYRIDINE-3-CARBOXYLIC ACID, 1-ETHYL-7-METHYL-4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID, 206-864-7, InChI=1/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17 |
|---|---|
| Topological Polar Surface Area | 70.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Processing aid for the manuf. of cold-water sol. tea beverages. Hydrolyses digallate to 2 gallate mols., also hydrolyses ester links in other tannates In enzymology, a tannase (EC 3.1.1.20) is an enzyme that catalyzes the chemical reaction, Nalidixic acid is a quinolone antibacterial agent for oral administration. Nalidixic acid has marked antibacterial activity against gram-negative bacteria including <i>Enterobacter</i> species, <i>Escherichia coli</i>, <i>Morganella Morganii</i> |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P0AES4, Q02880, n.a., P9WG47, P02545, Q194T2, Q03164, P51450, Q16236, Q96KQ7, Q9UIF8, P19793, P03372, O95149, Q03181, O35956, P10145, O42275, P81908, Q9NUW8, Q9NPD5, Q9Y6L6, P35354, P23219, Q9NR56, P27695, P08684, O95342, Q92887, O15438, O15439, P0DTD1, P10275 |
| Iupac Name | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Naphthyridines |
| Target Id | NPT483, NPT1028 |
| Xlogp | 1.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Naphthyridine carboxylic acids and derivatives |
| Molecular Formula | C12H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.533 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 0.724 |
| Synonyms | 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure, 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate, 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1-Ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylate, 1-Ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylate, 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid, 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,4-dihydro-1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate, 1,4-dihydro-1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, 3-Carboxy-1-ethyl-7-methyl-1,8-naphthidin-4-one, 3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one, 3374-05-8 (hydrochloride salt, anhydrous), 389-08-2 (FREE ACID), Acide nalidixique, Acido nalidissico, Acido nalidissico [dcit], Acido nalidixico, Acidum nalidixicum, Betaxina, Cybis, Dixiben, Dixinal, E.C.3.1.1.20, Eucistin, Innoxalon, Jicsron, Kusnarin, Naladixic acid, Naldixic acid, Nalidic acid, Nalidicron, Nalidixan, Nalidixate, Nalidixate sodium, Nalidixic acid, Nalidixic acid (JP15/USP/INN), Nalidixic acid [usan:inn:ban:jan], NALIDIXIC ACID & CRL8131, Nalidixin, Nalidixinic acid, Nalitucsan, Nalix, Nalurin, Narigix, Naxuril, Neggram, Neggram (TN), Negram, Nevigramon, Nicelate, NIX, Nogram, Poleon, Sicmylon, Sodium nalidixic acid, monohydrate, Specifen, Specifin, Tannin acylhydrolase, Unaserus, Uralgin, Uriben, Uriclar, Urisal, Urodixin, Uroman, Uroneg, Uronidix, Uropan, Wintomylon, Wintron |
| Substituent Name | Naphthyridine carboxylic acid, Pyridine carboxylic acid or derivatives, Pyridine carboxylic acid, Methylpyridine, Pyridine, Heteroaromatic compound, Vinylogous amide, Azacycle, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Nalidixic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.085 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3849759176470586 |
| Inchi | InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) |
| Smiles | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all