| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 17 | Yes |
Popular Name: Nalidixic acid Nalidixic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15769-77-4 , 2/8/389 , 3374-05-8 , 389-08-2 , 389-08-2, 3374-05-8 [anhy , 389-08-2, 3374-05-8 [anhydrous], 15769-77-4 [nalidixate sodium] , [389-08-2]
1,4-Dihydro-1-ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid
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-
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure [German]
1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxilic acid
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-ca rboxylic acid
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-carboxylic acid
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
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
15769-77-4; D05110; Nalidixate sodium (USAN); Nalidixate sodium monohydrate
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; C05079; Nalidixic acid
389-08-2; CPD000058264; Nalidixic Acid; SAM002554914
389-08-2; D00183; NA; Nalidixic acid (JP16/USP/INN); NegGram (TN)
5-25-07-00384 (Beilstein Handbook Reference)
Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico
Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico [Italian]
Acide nalidixique [INN-French]
acide nalidixique; acido nalidixico; acidum nalidixicum; nalidixic acid
Acido nalidixico [INN-Spanish]
Acidum nalidixicum [INN-Latin]
CPD000058264; Nalidixic acid; SAM002554914
FDA); Nalidixate Sodium (USAN)
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
nalidixate; nalidixate anion; nalidixate(1-); nalidixylate
Nalidixic acid sodium salt hydrate; Prestwick_827
Nalidixic acid [USAN:INN:BAN:JAN]
Nalidixic acid, Antibiotic for Culture Media Use Only
NALIDIXIC ACID, SODIUM SALT HYDRATE
NegGram, Nevigramon, Nalidixin, Uronidix
Sodium Nalidixic Acid, Anhydrous
Sodium Nalidixic Acid, Monohydrate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.81 | 8.13 | -63.52 | 0 | 5 | -1 | 75 | 231.231 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 7.31 | -25.17 | 1 | 5 | 0 | 78 | 232.239 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; chloroform: 20 mg/mL, clear | Indofine |
| ALOGPS_SOLUBILITY | 2.30e+00 g/l | DrugBank-approved |
| Mp [°C] | 225 - 231 | Acros Organics |
| M.P | 227-229 °C | Indofine |
| MP | 228 - 230 | Enamine Building Blocks |
| Melting_Point | 228-230? | Alfa-Aesar |
| Melting_Point | 228-230° | Alfa-Aesar |
| MP | 228...230 | Enamine Building Blocks |
| MP | 229 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Notes | Active against gram-negative bacteria | Apollo Scientific Bioactives |
| Therapy | antibacterial | SMDC Iconix |
| biological_use | Antibacterial agent | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antibiotic | IBScreen Bioactives |
| biological_use | Antiseptic | IBScreen Bioactives |
| UniProt Database Links | CRCB_ECOLI; DGK1_YEAST; EMRA_ECOLI; EMRB_ECOLI; EMRK_ECOLI; EMRY_ECOLI; PELD_ERWCA; PGMB_ECOLI; TOLC_VIBCH; TTGA_PSEPT; TTGB_PSEPT; TTGC_PSEPT; TTGV_PSEPT; TTGW_PSEPT | ChEBI |
| mechanism | DNA polymerase inhibitor | IBScreen Bioactives |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-1011; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | not available | PDSP via PubChem |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P342 + P311: If experiencing respiratory symptoms: Call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection | Acros Organics |
| R phrase | R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| R phrase | R42/43: May cause sensitisation by inhalation and skin contact. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-1011; SUPPLIER_COMMENTS: OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | Topoisomerase | Selleck Chemicals |
| Hazard | XN: Harmful | Acros Organics |
