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Micronomicin sulfate

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Name Micronomicin sulfate EINECS
CAS No. 66803-19-8 Density
Solubility Melting Point
Formula C20H41N5O7.H2SO4 Boiling Point 667.2 °C at 760 mmHg
Molecular Weight 561.27 Flash Point 357.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 66803-19-8 (Micronomycin sulfate) Hazard Symbols
Synonyms

 

Specification

The IUPAC name of Micronomycin sulfate is (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid. With the CAS registry number 66803-19-8, it is also named as Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-, sulfate, D-. The classification code is Drug / Therapeutic Agent.

The other characteristics of Micronomycin sulfate can be summarized as: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -9.02; (4)ACD/LogD (pH 7.4): -7.99; (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: 13; (12)Polar Surface Area: 80.81 Å2; (13)Enthalpy of Vaporization: 112.26 kJ/mol; (14)Vapour Pressure: 1.19E-20 mmHg at 25°C; (15)Rotatable Bond Count: 7; (16)Exact Mass: 561.267978; (17)MonoIsotopic Mass: 561.267978; (18)Topological Polar Surface Area: 283; (19)Heavy Atom Count: 37; (20)Complexity: 688.

Uses of Micronomycin sulfate: It is a kind of Antibiotic drugs which is used in a variety of infections caused by gram-negative bacteria, such as bacteremia, respiratory system, bile duct, urinary tract infections.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=S(=O)(O)O.O[C@]3(C)[C@H](NC)[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]1O[C@H](CNC)CC[C@H]1N)[C@@H]2O)OC3
2. InChI:InChI=1/C20H41N5O7.H2O4S/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2;1-5(2,3)4/h9-19,24-28H,4-8,21-23H2,1-3H3;(H2,1,2,3,4)/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-;/m0./s1

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular 459mg/kg (459mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Japanese Journal of Antibiotics. Vol. 36, Pg. 3204, 1983.
dog LD50 intravenous 459mg/kg (459mg/kg)   Drugs in Japan Vol. 6, Pg. APP-18, 1982.
mouse LD50 intravenous 245mg/kg (245mg/kg)   Drugs in Japan Vol. 6, Pg. APP-18, 1982.
mouse LD50 oral 15600mg/kg (15600mg/kg)   Drugs in Japan Vol. -, Pg. 1323, 1995.
mouse LD50 subcutaneous 350mg/kg (350mg/kg)   Drugs in Japan Vol. 6, Pg. APP-18, 1982.
rat LD50 intramuscular 625mg/kg (625mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Japanese Journal of Antibiotics. Vol. 36, Pg. 3204, 1983.
rat LD50 intravenous 104mg/kg (104mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Japanese Journal of Antibiotics. Vol. 36, Pg. 3204, 1983.
rat LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 1323, 1995.
rat LD50 subcutaneous 1223mg/kg (1223mg/kg)   Drugs in Japan Vol. 6, Pg. APP-18, 1982.

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