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313-05-3

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Basic Information
CAS No.: 313-05-3
Name: Azacosterol
Molecular Structure:
Molecular Structure of 313-05-3 (Azacosterol)
Formula: C25H44 N2 O
Molecular Weight: 388.637
Synonyms: Androst-5-en-3b-ol, 17b-[[3-(dimethylamino)propyl]methylamino]-(7CI,8CI); 17b-([(3-Dimethylamino)propyl]methylamino)androst-5-en-3b-ol; 17b-20,25-Diazacholesterol;20,25-Diazacholesterol; Azacosterol; Diazasterol
Density: 1.04g/cm3
Melting Point: 146-148°
Boiling Point: 490.6°Cat760mmHg
Flash Point: 210.4°C
PSA: 26.71000
LogP: 4.56220
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    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

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Chemistry

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

Toxicity Data With Reference

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.

Specification

 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.