| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 33 | No |
Popular Name: Oxytetracycline Oxytetracycline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2058-46-0 , 423769-22-6 , 6153-64-6 , 6153-64-6, 79-57-2 [anhyd , 6153-64-6, 79-57-2 [anhydrous] , 79-57-2 , [79-57-2]
2058-46-0 (mono-hydrochloride)
2058-46-0; CPD001614498; Oxytetracycline hydrochloride; SAM002554919
4-14-00-02633 (Beilstein Handbook Reference)
6153-64-6; Oxytetracycline dihydrate; Prestwick_630
6153-65-7 (di-hydrochloride salt, di-hydrate)
69766-62-7 (hydrochloride salt)
7179-50-2 (calcium (1:1) salt)
CPD001614498; Oxytetracycline hydrochloride; SAM002554919
Geomycin (Streptomyces vimosus)
JAN); Oxytetracycline Calcium (FDA
Oxytetracycline (internal use)
Oxytetracycline dihydrate, 95%
Oxytetracycline Hydrochloride (JAN
Oxytetracycline, 'can be used as secondary standard'
Terramycin, Liquamycin, Oxytetracycline
USP); Oxytetracycline Calcium (FDA
| 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) | -1.16 | -2.23 | -94.38 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Ref Reference (pH 7) | -1.89 | -4.35 | -71.51 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -4.44 | -70.79 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | -4.37 | -142.59 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -1.5 | -172.87 | 6 | 11 | -2 | 212 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.89 | -3.54 | -170.54 | 6 | 11 | -2 | 208 | 458.423 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -3.36 | -243.16 | 5 | 11 | -3 | 210 | 457.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -1.71 | -147.94 | 7 | 11 | -1 | 209 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -4.46 | -116.41 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -4.35 | -70.7 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -5.45 | -62.09 | 7 | 11 | -1 | 205 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -4.14 | -125.02 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -2.21 | -121.38 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -2.22 | -121.38 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -3.48 | -59.67 | 8 | 11 | 0 | 206 | 460.439 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -4.36 | -145.25 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.34 | -3.76 | -53.31 | 9 | 11 | 1 | 203 | 461.447 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.89 | -2.73 | -75.99 | 8 | 11 | 0 | 206 | 460.439 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 181 - 182 | Acros Organics |
| Mp [°C] | 183 | Acros Organics |
| MP | 211 - 213 | Enamine Building Blocks |
| MP | 211...213 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antibacterial | SMDC Iconix |
| Purity | CP2000 | APIChem |
| PUBCHEM_PATENT_ID | EP0000809A1; EP0002309A2; EP0002892A1; EP0006298A1; EP0013107A1; EP0013768A1; EP0019411A1; EP0022173A1; EP0025495A1; EP0025698A2; EP0027258A1; EP0034347A2; EP0037488A2; EP0038013A2; EP0040932A1; EP0043479A1; EP0053890A1; EP0056992A1; EP0064040A1; EP006484 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0533690A1; EP0533690B1; EP0566291A1; US5091187; US5604208 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H361d: Suspected of damaging the unborn child | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-9280; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | NULL | Selleck Chemicals |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and ea | Acros Organics |
| R phrase | R36: Irritating to eyes. | Acros Organics |
| R phrase | R36: Irritating to eyes.; R63: Possible risk of harm to the unborn child. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-9280; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: YELLOW POWDER | NIH Clinical Collection via PubChem |
| Hazard | XN: Harmful | Acros Organics |
