Molecule structure of Azacosterol (CAS NO.313-05-3):
IUPAC Name: 17-[3-(Dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight: 388.62966 [g/mol]
Molecular Formula: C25H44N2O
Index of Refraction: 1.553
Molar Refractivity: 118.521 cm3
Molar Volume: 370.54 cm3
Surface Tension: 43.119 dyne/cm
Density: 1.049 g/cm3
Flash Point: 210.437 °C
Enthalpy of Vaporization: 87.23 kJ/mol
Boiling Point: 490.628 °C at 760 mmHg
XLogP3: 4.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 388.345364
MonoIsotopic Mass: 388.345364
Topological Polar Surface Area: 26.7
Heavy Atom Count: 28
Canonical SMILES: CC12CCC3C(C1CCC2N(C)CCCN(C)C)CC=C4C3(CCC(C4)O)C
InChI: InChI=1S/C25H44N2O/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4/h7,19-23,28H,6,8-17H2,1-5H3
InChIKey: FMTFZYKYVZBISL-UHFFFAOYSA-N
Classification Code of Azacosterol (CAS NO.313-05-3): Anticholesteremic agents; Antilipemic Agents; Antimetabolites
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 422mg/kg (422mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
mouse | LD50 | oral | 90mg/kg (90mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 139, Pg. 100, 1972. |
Azacosterol (CAS NO.313-05-3) is also named as Azacosterol [INN] ; 17-beta-((3-(Dimethylamino)propyl)methylamino)androst-5-en-3-beta-ol ; 20,25-Diazacholesterol ; Azacholesterol ; Azacosterol ; Azacosterolum ; Azacosterolum [INN-Latin] ; Diazasterol ; Androst-5-en-3-beta-ol, 17-beta-((3-(dimethylamino)propyl)methylamino)- ; Androst-5-en-3-ol, 17-((3-(dimethylamino)propyl)methylamino)-, (3-beta,17-beta)- (9CI) ; Androst-5-en-3-ol, 17-((3-(dimethylamino)propyl)methylamino)-, (3beta,17beta)- . Azacosterol is a sterol. It is a derivative of cholesterol in which two carbon atoms have been replaced with nitrogen.
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