CAS No.32385-11-8,Sisomicin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32385-11-8
Name:	Sisomicin
Article Data:	10

Formula:	C₁₉H₃₇N₅O₇
Molecular Weight:	447.532
Synonyms:	Sisomicin(8CI);Antibiotic 66-40;Rickamicin;Sch 13475;Sisomicin;
EINECS:	251-018-2
Density:	1.387 g/cm³
Melting Point:	80-93°C
Boiling Point:	676.579 °C at 760 mmHg
Flash Point:	362.982 °C
PSA:	296.70000
LogP:	-0.23140

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Specification

The Sisomicin, with the CAS registry number 32385-11-8, is also known as Rickamicin. Its EINECS number is 251-018-2. This chemical's molecular formula is C₁₉H₃₇N₅O₇ and molecular weight is 447.53. What's more, its IUPAC name is (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol. Its classification codes are: (1)Anti-Bacterial Agents; (2)Anti-Infective Agents; (3)Antibacterial; (4)Drug / Therapeutic Agent; (5)Enzyme Inhibitors; (6)Protein Synthesis Inhibitors; (7)Reproductive Effect. This chemical is used in gentamicin-like aminoglycoside antibiotic which has broad spectrum antibiotic activity.

Physical properties of Sisomicin are: (1)ACD/LogP: -3.325; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -9.81; (4)ACD/LogD (pH 7.4): -8.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 12; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 213.72 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 113.082 cm³; (15)Molar Volume: 322.644 cm³; (16)Polarizability: 44.829×10^-24cm³; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 1.387 g/cm³; (19)Flash Point: 362.982 °C; (20)Enthalpy of Vaporization: 113.645 kJ/mol; (21)Boiling Point: 676.579 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: 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(=C/C[C@H]1N)CN)[C@@H]2O)OC3
(2)Std. InChI: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
(3)Std. InChIKey: URWAJWIAIPFPJE-YFMIWBNJSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	221mg/kg (221mg/kg)		"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 178, 1980.
mouse	LD50	intravenous	34mg/kg (34mg/kg)		"Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 239, 1977.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978.
mouse	LD50	subcutaneous	177mg/kg (177mg/kg)		Chemotherapy Vol. 26(Suppl,
rat	LD50	intravenous	32mg/kg (32mg/kg)		Archives of Toxicology. Vol. 54, Pg. 275, 1983.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 4, Pg. 107, 1978.