alfaxalone

Modify Date: 2025-08-21 13:54:02

alfaxalone Structure
alfaxalone structure
 Common Name alfaxalone
CAS Number 23930-19-0 Molecular Weight 332.47700
Density 1.112g/cm3 Boiling Point 468.1ºC at 760 mmHg
Molecular Formula C21H32O3 Melting Point 172-174°
MSDS Chinese USA Flash Point 251ºC

 Names

Name (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.112g/cm3
Boiling Point 468.1ºC at 760 mmHg
Melting Point 172-174°
Molecular Formula C21H32O3
Molecular Weight 332.47700
Flash Point 251ºC
Exact Mass 332.23500
PSA 54.37000
LogP 3.77420
Vapour Pressure 9.95E-11mmHg at 25°C
Index of Refraction 1.532
InChIKey DUHUCHOQIDJXAT-OLVMNOGESA-N
SMILES CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4157800
CHEMICAL NAME :
5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-
CAS REGISTRY NUMBER :
23930-19-0
BEILSTEIN REFERENCE NO. :
3217240
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C21-H32-O3
MOLECULAR WEIGHT :
332.53
WISWESSER LINE NOTATION :
L E5 B666 CVTJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
297 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,680,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
116 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,680,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 28,1337,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
19400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 28,1337,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 28,1337,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,680,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,680,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
36900 ug/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 1,119,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
9360 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 8,680,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg/30D-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Related to Chronic Data - death
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 28,1337,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1820 mg/kg/13W-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 28,1337,1977

 Safety Information

Hazard Codes Xn
Risk Phrases R22
Safety Phrases 22-36
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS TU4157800

 alfaxaloneBioassay

View more

Name: Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185
Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Compound was evaluated for anesthetic activity (lowest dose producing loss of rightin...
Source: ChEMBL
Target: N/A
External Id: CHEMBL844689
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
Name: Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit gamma-2
External Id: CHEMBL4139383
Name: Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit gamma-2
External Id: CHEMBL4139382
Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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 Synonyms

Alfaxalone
Alphaxalone
MFCD00083468
Cyclothiazide
GR 2/234
3alpha-Hydroxy-5alpha-pregnane-11,20-dione
5alpha-Pregnan-3alpha-ol-11,20-dione
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70236-41-8
Chromate(3-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-7-nitro-1-naphthalenesulfonato(3-)]-, hydrogen (1:3)
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Chromate(3-), bis[4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, hydrogen (1:3)
73018-74-3
Cobaltate(2-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-[[[4-hydroxy-3-[[2-(phenylamino)-1-naphthalenyl]azo]phenyl]sulfonyl]amino]benzoato(3-)]-, sodium hydrogen
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Cobaltate(2-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, dihydrogen
72987-06-5
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Chromate(3-), bis[5-chloro-2-(hydroxy-kappaO)-3-[2-[1-(hydroxy-kappaO)-5-hydroxy-2-naphthalenyl]diazenyl-kappaN1]benzenesulfonato(3-)]-, hydrogen (1:3)
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Chromate(3-), bis[5-chloro-2-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-1-naphthalenyl]diazenyl-kappaN1]benzenesulfonato(3-)]-, hydrogen (1:3)
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Chromate(3-), bis[6-(amino-kappaN)-5-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-1-naphthalenesulfonato(3-)]-, hydrogen (1:3)
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