CAS No.19408-46-9,KASUGAMYCIN HYDROCHLORIDE HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19408-46-9
Name:	KASUGAMYCIN HYDROCHLORIDE HYDRATE

Formula:	C₁₄H₂₆ClN₃O₉
Molecular Weight:	415.88
Synonyms:	D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-,monohydrochloride (9CI);Kasugamycin, monohydrochloride (8CI);Kasugamycinhydrochloride;
Density:	1.97g/cm3
Melting Point:	203oC (dec)
Boiling Point:	604.4 °C at 760 mmHg
Flash Point:	319.3 °C
Solubility:	soluble in water
Safety:	22-24/25-26
PSA:	218.81000
LogP:	-2.33510

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Specification

The CAS register number of Kasumin is 19408-46-9. It also can be called as Kasugamycin hydrochloride and the IUPAC name about this chemical is 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid hydrochloride. The molecular formula about this chemical is C₁₄H₂₅N₃O₉^.HCl and the molecular weight is 415.82. It belongs to the Fungicide. When you are using it, you need avoid contact with skin and eyes and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about Kasumin are: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 12; (3)#H bond donors: 10; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 218.81Å²; (6)Flash Point: 319.3 °C; (7)Enthalpy of Vaporization: 103.11 kJ/mol; (8)Boiling Point: 604.4 °C at 760 mmHg; (9)Vapour Pressure: 3.93E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(=O)C(=N)N[C@H]2C[C@H](N)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)O[C@@H]2C
(2)InChI: InChI=1/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-;/m1./s1
(3)InChIKey: ZDRBJJNXJOSCLR-NZXABURVBB
(4)Std. InChI: InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-;/m1./s1
(5)Std. InChIKey: ZDRBJJNXJOSCLR-NZXABURVSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
monkey	LD	intravenous	> 800mg/kg (800mg/kg)		Japan Pesticide Information. Vol. (10), Pg. 66, 1972.
mouse	LD50	intraperitoneal	7600mg/kg (7600mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 225, 1969.
mouse	LD50	intravenous	3850mg/kg (3850mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 225, 1969.
mouse	LD50	oral	20500mg/kg (20500mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 21, Pg. 206, 1968.
mouse	LD50	subcutaneous	12gm/kg (12000mg/kg)	VASCULAR: SHOCK LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Japanese Journal of Antibiotics. Vol. 21, Pg. 206, 1968.
mouse	LD50	unreported	20900mg/kg (20900mg/kg)		Japan Pesticide Information. Vol. (2), Pg. 18, 1970.
rat	LD50	intraperitoneal	12gm/kg (12000mg/kg)		Japan Pesticide Information. Vol. (10), Pg. 66, 1972.
rat	LD50	intravenous	5200mg/kg (5200mg/kg)		Japan Pesticide Information. Vol. (10), Pg. 66, 1972.
rat	LD50	oral	22gm/kg (22000mg/kg)		Japan Pesticide Information. Vol. (10), Pg. 66, 1972.
rat	LD50	subcutaneous	17gm/kg (17000mg/kg)		Japan Pesticide Information. Vol. (10), Pg. 66, 1972.