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Basic Information
CAS No.: 56283-74-0
Name: Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
Molecular Structure:
Molecular Structure of 56283-74-0 (Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-)
Formula: C37H62 O12
Molecular Weight: 698.99
Synonyms: 1,6-Dioxaspiro[4.5]decane,monensin deriv.; Laidlomycin
Density: 1.23g/cm3
Melting Point: 151-153°
Boiling Point: 791.2°Cat760mmHg
Flash Point: 235.6°C
Safety: Poison by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 170.44000
LogP: 4.18960
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Chemistry

Chemistry informtion about 16-Deethyl-3-O-Demethyl-16-Methyl-3-O-(1-Oxopropyl)Monensin(CAS NO.56283-74-0) is:
IUPAC Name: Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-;Laidlomycin;16-Deethyl-3-O-demethyl-16-methyl-3-O-(1oxopropyl)monensin
Synonyms: Monensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-;Laidlomycin ; 16-Deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)monensin 
Molecular Weight: 698.88098 [g/mol]
Molecular Formula: C37H62O12
EINECS: 260-095-1
XLogP3-AA: 4.1
H-Bond Donor: 4
H-Bond Acceptor: 12
Canonical SMILES: CCC(=O)OC(C(C)C1C(C(CC2(O1)CCC(O2)(C)C3CCC(O3)(C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C)O)C)C(C)C(=O)O
InChI: InChI=1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)
InChIKey: ZNBNBTIDJSKEAM-UHFFFAOYSA-N 
Density: 1.23 g/cm3
Flash Point: 235.6 °C
Enthalpy of Vaporization: 131.12 kJ/mol
Boiling Point: 791.2 °C at 760 mmHg
Vapour Pressure: 6.2E-29 mmHg at 25°C
Following is the molecular structure of 16-Deethyl-3-O-Demethyl-16-Methyl-3-O-(1-Oxopropyl)Monensin(CAS NO.56283-74-0) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 884, 1974.
mouse LD50 intravenous 1mg/kg (1mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 884, 1974.
mouse LD50 subcutaneous 2500ug/kg (2.5mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 884, 1974.

Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

16-Deethyl-3-O-Demethyl-16-Methyl-3-O-(1-Oxopropyl)Monensin(CAS NO.56283-74-0) is a polycyclic, polyether, monocarboxylic acid posessing inhibitory activity against various Mycoplasma species, especially Acholeplasma laidlawii.