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CAS No.: | 53179-09-2 |
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Name: | SISOMICIN SULFATE |
Molecular Structure: | |
Formula: | 2(C19H37N5O7).5(H2SO4) |
Molecular Weight: | 545.612 |
Synonyms: | (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;32385-11-8;Salvamina;Sisomicine [INN-French];Sch-13475;Sisomycin;O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-L-streptamine;Prestwick_847;Siseptin (TN);D-Streptamine,O-3-deoxy-4-C-methyl-3- (methylamino)-a-L-arabinopyranosyl-(1f6)- O-[2,6-diamino-2,3,4,6-tetradeoxy-R-Dglycero- hex-4-enopyranosyl-(1f4)]-2-deoxy-,sulfate (2:5) (salt);Baymicine;Sisomicin sulfate [USAN:JAN]; |
EINECS: | 258-414-4 |
Melting Point: | 70-73oC |
Boiling Point: | 1504.5 °C at 760 mmHg |
Flash Point: | 863.7 °C |
Solubility: | Soluble in water |
Hazard Symbols: | T,Xi |
Risk Codes: | 61-20/21/22-36/37/38 |
Safety: | 53-22-36/37/39-45-36-26 |
PSA: | 842.34000 |
LogP: | 0.82120 |
The Sisomicin sulfate, with the CAS registry number 53179-09-2, is also known as Antibiotic 66-40 sulfate. Its EINECS registry number is 258-414-4. This chemical's molecular formula is C38H84N10O34S5 and molecular weight is 1385.44516. Its IUPAC name is called (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid. This chemical's classification codes are Antibacterial; Drug / Therapeutic Agent; Natural Product.
Physical properties of Sisomicin sulfate: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 44; (6)#H bond donors: 34; (7)#Freely Rotating Bonds: 26; (8)Flash Point: 863.7 °C; (9)Enthalpy of Vaporization: 260.38 kJ/mol; (10)Boiling Point: 1504.5 °C at 760 mmHg; (11)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OS(O)(=O)=O.OS(O)(=O)=O.C[C@]3(O)CO[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](OC1OC(/CN)=C\CC1N)[C@@H]2O)[C@H](O)[C@H]3NC.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.NC3C\C=C(\CN)OC3O[C@@H]2[C@@H](N)C[C@@H](N)[C@H] (O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H]2O
(2)InChI: InChI=1/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9?,10-,11+,12-,13+,14+,15-,16+,17?,18+,19-;;;;;/m00...../s1
(3)InChIKey: CIKNYWFPGZCHDL-UYIUNSPHBA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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dog | LD50 | intramuscular | 267mg/kg (267mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 10, Pg. 43, 1984. |
mouse | LD50 | intramuscular | 280mg/kg (280mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978. |
mouse | LD50 | intraperitoneal | 221mg/kg (221mg/kg) | Journal of Antibiotics. Vol. 23, Pg. 551, 1970. | |
mouse | LD50 | intravenous | 34mg/kg (34mg/kg) | Journal of Antibiotics. Vol. 23, Pg. 551, 1970. | |
mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 320, 1982. | |
mouse | LD50 | subcutaneous | 272mg/kg (272mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978. |
rat | LD50 | intramuscular | 404mg/kg (404mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978. |
rat | LD50 | intravenous | 49mg/kg (49mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978. |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 320, 1982. | |
rat | LD50 | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978. |