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Name |
Isepamicin sulfate |
EINECS | 1592732-453-0 |
CAS No. | 67814-76-0 | Density | 1.53g/cm3 |
PSA | 386.36000 | LogP | -4.89890 |
Solubility | N/A | Melting Point |
>210°C (dec.) |
Formula | C22H43N5O12.H2SO4 | Boiling Point | 926.8°Cat760mmHg |
Molecular Weight | 667.78 | Flash Point | 514.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by intraperitoneal and intramuscular route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx. See also SULFATES. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-2-[(2R,3R,4R,5S)-3,5-dihydroxy-5-methyl-4-methylamino-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide sulfate |
Molecular Formula: C22H45N5O16S
Molar mass: 667.68 g/mol
Product categories of Isepamicin sulfate (67814-76-0): Antibacterial
Structure of Isepamicin sulfate (67814-76-0):
H-Bond Donor: 14
H-Bond Acceptor: 20
IUPAC Name: (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,
6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,
5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-
2-hydroxypropanamide; sulfuric acid
Canonical SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O
Isomeric SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O
InChI: InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1
InChIKey: DDXRHRXGIWOVDQ-MGAUJLSLSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intramuscular | > 1800mg/kg (1800mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) GASTROINTESTINAL: NAUSEA OR VOMITING | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
dog | LD50 | intravenous | 720mg/kg (720mg/kg) | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. | |
mouse | LD50 | intramuscular | 2508mg/kg (2508mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
mouse | LD50 | intraperitoneal | 2244mg/kg (2244mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
mouse | LD50 | intravenous | 234mg/kg (234mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 109, 1990. | |
mouse | LD50 | subcutaneous | 3320mg/kg (3320mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
rat | LD50 | intramuscular | 2088mg/kg (2088mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
rat | LD50 | intraperitoneal | 1591mg/kg (1591mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
rat | LD50 | intravenous | 476mg/kg (476mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 109, 1990. | |
rat | LD50 | subcutaneous | 3392mg/kg (3392mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986. |
Moderately toxic by intraperitoneal and intramuscular route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx. See also SULFATES.
Isepamicin sulfate (67814-76-0) also can be called Isepacin ; 1-N-(S-3-Amino-2-hydroxypropionyl)-gentamicin B sulfate and HAPA-B sulfate .