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Kasumin

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Name

Kasumin

EINECS
CAS No. 19408-46-9 Density 1.97g/cm3
Solubility soluble in water Melting Point 203oC (dec)
Formula C14H26ClN3O9 Boiling Point 604.4 °C at 760 mmHg
Molecular Weight 415.88 Flash Point 319.3 °C
Transport Information Appearance
Safety 22-24/25-26 Risk Codes
Molecular Structure Molecular Structure of 19408-46-9 (Kasumin) Hazard Symbols
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;

 

Kasumin 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.

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