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| CAS No.: | 14271-02-4 |
|---|---|
| Name: | Erythromycin,hydrochloride (8CI,9CI) |
| Molecular Structure: | |
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| Formula: | C37H67 N O13 . Cl H |
| Molecular Weight: | 770.51 |
| Synonyms: | Oxacyclotetradecane,erythromycin deriv. |
| Density: | g/cm3 |
| Boiling Point: | 818.4°Cat760mmHg |
| Flash Point: | 448.8°C |
| Safety: | Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also ERYTHROMYCIN. |
| PSA: | 193.91000 |
| LogP: | 2.58760 |
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Chemistry
Molecule structure of Erythromycin hydrochloride (CAS NO.14271-02-4) :
IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione hydrochloride
Molecular Weight: 770.38772 g/mol
Molecular Formula: C37H68ClNO13
Boiling Point: 818.4 °C at 760 mmHg
Flash Point: 448.8 °C
Enthalpy of Vaporization: 135.4 kJ/mol
Vapour Pressure: 4.94E-31 mmHg at 25 °C
H-Bond Donor: 6
H-Bond Acceptor: 14
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 769.437919
MonoIsotopic Mass: 769.437919
Topological Polar Surface Area: 194
Heavy Atom Count: 52
Complexity: 1180
Defined Atom StereoCenter Count: 18
Isomeric SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H]
(C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.Cl
InChI: InChI=1S/C37H67NO13.ClH/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;1H/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1
InChIKey of Erythromycin hydrochloride (CAS NO.14271-02-4) : BXBSPTIDIMGJNO-YZPBMOCRSA-N
Toxicity Data With Reference
| 1. | scu-rat LD50:1442 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. | ||
| 2. | ivn-rat LD50:209 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. | ||
| 3. | orl-mus LD50:2927 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. | ||
| 4. | ipr-mus LD50:490 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. | ||
| 5. | scu-mus LD50:1849 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. | ||
| 6. | ivn-mus LD50:377 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4393053 . | ||
| 7. | ivn-rbt LD50:183 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 41 (1952),555. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also ERYTHROMYCIN.
Specification
Erythromycin hydrochloride (CAS NO.14271-02-4) is also called Ilotycin hydrochloride .