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Kanamycin acid Sulfate

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Kanamycin acid Sulfate

EINECS
CAS No. 133-92-6 Density
Solubility Melting Point
Formula C18H38N4O15S Boiling Point 809.5 °C at 760 mmHg
Molecular Weight 582.58 Flash Point 443.4 °C
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 133-92-6 (Kanamycin acid Sulfate) Hazard Symbols
Synonyms

 

Kanamycin acid Sulfate Specification

The Kanamycin acid Sulfate is an organic compound with the formula C18H38N4O15S. The IUPAC name of this chemical is 2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; sulfuric acid. With the CAS registry number 133-92-6, it is also named as (1S,2R,3R,4S,6R)-4,6-Diamino-3-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside sulfate (1:1). The product's category is Antibiotics.

Physical properties about Kanamycin acid Sulfate are: (1)ACD/LogP: -2.58; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 15 #H bond donors: 15; (4)#Freely Rotating Bonds: 17; (5)Polar Surface Area: 114.49 Å2; (6)Flash Point: 443.4 °C; (7)Enthalpy of Vaporization: 134 kJ/mol; (8)Boiling Point: 809.5 °C at 760 mmHg; (9)Vapour Pressure: 2.47E-30 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
(2)InChI: InChI=1/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
(3)InChIKey: OOYGSFOGFJDDHP-KMCOLRRFBH
(4)Std. InChI: InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
(5)Std. InChIKey: OOYGSFOGFJDDHP-KMCOLRRFSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo intramuscular 390mg/kg (390mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR Journal of Pediatrics. Vol. 60, Pg. 230, 1962.
mouse LD50 intramuscular 1190mg/kg (1190mg/kg)   Drugs in Japan Vol. 6, Pg. 173, 1982.
mouse LD50 intraperitoneal 1353mg/kg (1353mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 138, 1963.
mouse LD50 intravenous 240mg/kg (240mg/kg)   Drugs in Japan Vol. 6, Pg. 173, 1982.
mouse LD50 oral 17500mg/kg (17500mg/kg)   Drugs in Japan Vol. 6, Pg. 173, 1982.
mouse LD50 subcutaneous 1100mg/kg (1100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Antibiotiki. Vol. 29, Pg. 851, 1984.
rabbit LD50 intramuscular > 3gm/kg (3000mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rabbit LD50 intravenous 550mg/kg (550mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rabbit LD50 oral > 3gm/kg (3000mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rabbit LD50 subcutaneous > 3gm/kg (3000mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rat LD50 intramuscular > 4gm/kg (4000mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rat LD50 intraperitoneal 3200mg/kg (3200mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rat LD50 intravenous 225mg/kg (225mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rat LD50 oral > 4gm/kg (4000mg/kg)   Japanese Journal of Antibiotics. Vol. 28, Pg. 415, 1975.
rat LD50 subcutaneous 1700mg/kg (1700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 597, 1962.

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