Alfaxalone: 0 Products found
Name
Alfaxalone
EINECS
CAS No.
23930-19-0
Density
1.112 g/cm3
Solubility
Melting Point
Formula
C21H32O3
Boiling Point
468.1 °C at 760 mmHg
Molecular Weight
332.47698
Flash Point
251 °C
Transport Information
UN 2811
Appearance
Safety
22-36
Risk Codes
22
Molecular Structure
Hazard Symbols
Synonyms
5a-Pregnane-11,20-dione, 3a-hydroxy- (8CI);3a-Hydroxy-5a-pregnane-11,20-dione;5a-Alphaxalone;5a-Pregnan-3a-ol-11,20-dione;5a-Pregnane-3a-ol-11,20-dione;Alfaxalone;Alphaxalone;GR 2/234;Pregnane-11,20-dione, 3-hydroxy-, (3α,5α)-;(3a,5a)-3-Hydroxypregnane-11,20-dione;(3α,5α)-3-Hydroxypregnane-11,20-dione;Pregnane-11,20-dione, 3-hydroxy-, (3α,5α)-;(3α,5α)-3-hydroxypregnane-11,20-dione;

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Others

The Alfaxalone with CAS registry number of 23930-19-0 is also called Pregnane-11,20-dione, 3-hydroxy-,(3α,5α)-. The IUPAC name is (3α,5α)-3-hydroxypregnane-11,20-dione. In addition, the formula is C21H32O3 and the molecular weight is 332.47698. It is a kind of white powder. And it is a neurosteroid general anaesthetic. It is one of the constituents of althesin. What's more, it is used in veterinary practice under the tradename Alfaxan.

Physical properties about Alfaxalone are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.73; (6)ACD/BCF (pH 7.4): 74.73; (7)ACD/KOC (pH 5.5): 763.22; (8)ACD/KOC (pH 7.4): 763.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 92.7 cm3; (15)Molar Volume: 298.8 cm3; (16)Polarizability: 36.74 ×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 251 °C; (20)Enthalpy of Vaporization: 84.19 kJ/mol; (21)Boiling Point: 468.1 °C at 760 mmHg; (22)Vapour Pressure: 9.95E-11 mmHg at 25°C.

The primary mechanism for the anaesthetic action of alfaxalone: The primary mechanism is modulation of neuronal cell membrane chloride ion transport.  It has also been shown that Alfaxalone binds to a different region of this receptor than the benzodiazipines. This chemical is metabolised rapidly in the liver.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. You should not breathe dust. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2[C@H]3[C@H]([C@@H]1CC[C@H](C(=O)C)[C@@]1(C)C2)CC[C@H]4C[C@H](O)CC[C@]34C
(2)InChI: InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
(3)InChIKey: DUHUCHOQIDJXAT-OLVMNOGEBO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 430mg/kg (430mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
mouse LD50 intravenous 36900ug/kg (36.9mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 1, Pg. 119, 1975.
mouse LD50 oral 880mg/kg (880mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.
mouse LD50 subcutaneous 5220mg/kg (5220mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rabbit LD50 intravenous 9360ug/kg (9.36mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 intraperitoneal 116mg/kg (116mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 intravenous 19400ug/kg (19.4mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.
rat LD50 oral 297mg/kg (297mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 subcutaneous > 2200mg/kg (2200mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.