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CAS No.: | 56391-57-2 |
---|---|
Name: | Netilmicin sulfate |
Molecular Structure: | |
Formula: | C21H41N5O7.2.5(H2SO4) |
Molecular Weight: | 720.80 |
Synonyms: | Netilmicinum [INN-Latin];Netilmicin sulfate [USAN:JAN];Netillin;(2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-ethylamino-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol;56391-56-1;Neomycin Trisulfate;Nelitmicin sulfate;Netilmicin Sulfate Sterile and non-sterile;Sch-20569;D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl(1-4))-2-deoxy-N(sup 1)-ethyl-;Netilmicin sulphate;1-N-Aethylsisomicin;Nettacin;NTL;Certomycin;Zetamicin;Netromycin (TN);Vectacin;Netilyn;NTL sulfate;Netilmicine [INN-French]; |
EINECS: | 260-147-3 |
Density: | 1.32 g/cm3 |
Melting Point: | >194oC (dec.) |
Boiling Point: | 684.3 °C at 760 mmHg |
Flash Point: | 367.7 °C |
Solubility: | Easily soluble in water, almost insoluble in alcohol or ether |
Appearance: | white to light yellow powder |
Hazard Symbols: | T,Xi |
Risk Codes: | 61-20/21/22-60 |
Safety: | 53-36/37/39-45-37/39-36-26 |
PSA: | 814.36000 |
LogP: | 1.50400 |
The IUPAC name of this chemical is (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid. With the CAS registry number 56391-57-2 and EINECS 260-147-3, it is also named as Certomycin. The product's categories are Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals. It is white to light yellow powder which is easily soluble in water, almost insoluble in alcohol or ether. Additionally, this chemical should be sealed in the container and stored at the temperature of 2-8 °C.
The other characteristics of this product can be summarized as:(1)ACD/LogP: -1.90; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -8.43; (4)ACD/LogD (pH 7.4): -6.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 80.81 Å2; (13)Enthalpy of Vaporization: 114.8 kJ/mol; (14)Vapour Pressure: 1.1E-21 mmHg at 25°C; (15)Rotatable Bond Count: 16; (16)Exact Mass: 1440.438094; (17)MonoIsotopic Mass: 1440.438094; (18)Topological Polar Surface Area: 814; (19)Heavy Atom Count: 91; (20)Complexity: 754.
Preparation of Netilmicin sulfate: It can be obtained by the following reaction:
Uses of Netilmicin sulfate: It is an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity. It is used in the treatment of serious infections caused by gram-negative bacteria.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it may cause harm to the unborn child. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.
People can use the following data to convert to the molecule structure.
1. Smiles:O([C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1N)CN)N)NCC)[C@@H]1[C@@H]([C@@H](NC)[C@@](C)(O)CO1)O.S(O)(O)(=O)=O.O([C@H]1[C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1N)CN)NCC)[C@@H]1[C@@H]([C@H]([C@@](C)(O)CO1)NC)O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O
2. InChI:InChI=1/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 63100ug/kg (63.1mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
mouse | LD50 | intraperitoneal | 189mg/kg (189mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Antimicrobial Agents and Chemotherapy. Vol. 10, Pg. 827, 1976. |
mouse | LD50 | intravenous | 22mg/kg (22mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
mouse | LD50 | subcutaneous | 68900ug/kg (68.9mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
rat | LD50 | intramuscular | 167mg/kg (167mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
rat | LD50 | intraperitoneal | 231mg/kg (231mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
rat | LD50 | intravenous | 40700ug/kg (40.7mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |
rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 1249, 1985. | |
rat | LD50 | subcutaneous | 169mg/kg (169mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Japanese Journal of Antibiotics. Vol. 35, Pg. 461, 1982. |