CAS No.67814-76-0,Isepamicin sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67814-76-0
Name:	Isepamicin sulfate

Formula:	C₂₂H₄₃N₅O₁₂^.H₂SO₄
Molecular Weight:	667.78
Synonyms:	(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-2-[(2R,3R,4R,5S)-3,5-dihydroxy-5-methyl-4-methylamino-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide sulfate
EINECS:	1592732-453-0
Density:	1.53g/cm³
Melting Point:	>210°C (dec.)
Boiling Point:	926.8°Cat760mmHg
Flash Point:	514.3°C
Safety:	Moderately toxic by intraperitoneal and intramuscular route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SO_x and NO_x. See also SULFATES.
PSA:	386.36000
LogP:	-4.89890

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Chemistry

Molecular Formula: C₂₂H₄₅N₅O₁₆S
Molar mass: 667.68 g/mol
Product categories of Isepamicin sulfate (67814-76-0): Antibacterial
Structure of Isepamicin sulfate (67814-76-0):

H-Bond Donor: 14
H-Bond Acceptor: 20
IUPAC Name: (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,
6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,
5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-
2-hydroxypropanamide; sulfuric acid
Canonical SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O
Isomeric SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O
InChI: InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1
InChIKey: DDXRHRXGIWOVDQ-MGAUJLSLSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intramuscular	> 1800mg/kg (1800mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) GASTROINTESTINAL: NAUSEA OR VOMITING	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
dog	LD50	intravenous	720mg/kg (720mg/kg)		Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
mouse	LD50	intramuscular	2508mg/kg (2508mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
mouse	LD50	intraperitoneal	2244mg/kg (2244mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
mouse	LD50	intravenous	234mg/kg (234mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)		Drugs in Japan Vol. -, Pg. 109, 1990.
mouse	LD50	subcutaneous	3320mg/kg (3320mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
rat	LD50	intramuscular	2088mg/kg (2088mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
rat	LD50	intraperitoneal	1591mg/kg (1591mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
rat	LD50	intravenous	476mg/kg (476mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Drugs in Japan Vol. -, Pg. 109, 1990.
rat	LD50	subcutaneous	3392mg/kg (3392mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Japanese Journal of Antibiotics. Vol. 39, Pg. 3164, 1986.

Safety Profile

Moderately toxic by intraperitoneal and intramuscular route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SO_x and NO_x. See also SULFATES.

Specification

Isepamicin sulfate (67814-76-0) also can be called Isepacin ; 1-N-(S-3-Amino-2-hydroxypropionyl)-gentamicin B sulfate and HAPA-B sulfate .