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Name	Milbemycin D	EINECS	N/A
CAS No.	77855-81-3	Density	1.18g/cm³
PSA	94.45000	LogP	5.17030
Solubility	N/A	Melting Point	186-188°
Formula	C33H48 O7	Boiling Point	735.7°C at 760 mmHg
Molecular Weight	556.74	Flash Point	231.9°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran],milbemycin B deriv.; Antibiotic B 41D; Milbemycin D	Article Data	2

Milbemycin D Chemical Properties

Molecule structure of Milbemycin D (CAS NO.77855-81-3) :

Molecular Weight: 556.73002 g/mol
Molecular Formula: C₃₃H₄₈O₇
Density: 1.18 g/cm3
Boiling Point: 735.7 °C at 760 mmHg
Flash Point: 231.9 °C
Index of Refraction: 1.57
Molar Refractivity: 153.56 cm³
Molar Volume: 468 cm³
Polarizability: 60.87*10^-24 cm³
Surface Tension: 49 dyne/cm
Enthalpy of Vaporization: 122.54 kJ/mol
Vapour Pressure: 5.55E-25 mmHg at 25 °C
XLogP3-AA: 4.1
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Exact Mass: 556.340004
MonoIsotopic Mass: 556.340004
Topological Polar Surface Area: 94.5
Heavy Atom Count: 40
Complexity: 1090
Defined Atom StereoCenter Count: 10
Canonical SMILES: CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C(C)C
Isomeric SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
InChI: InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKey of Milbemycin D (CAS NO.77855-81-3) : BWCRYQGQPDBOAU-WZBVPYLGSA-N

Milbemycin D Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	668mg/kg (668mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.
mouse	LD50	oral	1610mg/kg (1610mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.
mouse	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	BLOOD: HEMORRHAGE BLOOD: CHANGES IN SPLEEN	Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.
rat	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)		Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.
rat	LD50	oral	2467mg/kg (2467mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.
rat	LD50	subcutaneous	> 2gm/kg (2000mg/kg)	BLOOD: HEMORRHAGE BLOOD: CHANGES IN SPLEEN	Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 35, Pg. 71, 1983.

Milbemycin D Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.

Milbemycin D Specification

Milbemycin D (CAS NO.77855-81-3) is also called (6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B ; Antibiotic B 41D ; B 41D ; BRN 4282549 ; Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)-, (6R,25R)- .

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