Compound Summary
Alphaxalone
Compound Information
Alphaxalone
Compound Name: | Alphaxalone |
Compound CID: | 104845 |
Synonyms: | Alphaxalone Alfaxalone 23930-19-0 5alpha-Pregnan-3alpha-ol-11,20-dione Alfaxalonum INN-Latin More... |
Iupac 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 |
InChI: | InChI=1S/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 |
InChIKey: | DUHUCHOQIDJXAT-OLVMNOGESA-N |
Canonical Smiles: | CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C |
Isomeric Smiles: | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
Molecular Weight: | 332.5 |
Molecular Formula: | C21H32O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Alphaxalone
Molecular Weight: | 332.5 |
Molecular Formula: | C21H32O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 24 |
Complexity: | 569 |
Synonyms
Alphaxalone
| Alphaxalone | Alphaxalone |
|---|---|
Alphaxalone |
Alfaxalone |
23930-19-0 |
5alpha-Pregnan-3alpha-ol-11,20-dione |
Alfaxalonum INN-Latin |
Alfaxalona INN-Spanish |
GR 2/234 |
3alpha-Hydroxy-5alpha-pregnane-11,20-dione |
UNII-BD07M97B2A |
(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-tetradecahydrocyclopentaaphenanthren-11-one |
Alfadione |
MLS000069684 |
MLS001076262 |
BD07M97B2A |
CHEMBL190279 |
CHEBI:34531 |
3-Hydroxypregnane-11,20-dione |
NCGC00023100-03 |
SMR000058494 |
(3a,5a)-3-Hydroxypregnane-11,20-dione |
DSSTox_CID_2576 |
DSSTox_RID_76638 |
Alphaxolone |
DSSTox_GSID_22576 |
Alfaxalona |
Alfaxalonum |
SR-01000000168 |
BRN 3217240 |
3alpha-Hydroxy-5alpha-pregnan-11,20-dion |
5alpha-alphaxalone |
Alfaxalone INN:BAN:DCF:JAN |
3-alpha-Hydroxy-5-alpha-pregnane-11,20-dione |
Alfaxalone (INN) |
(3-alpha,5-alpha)-3-Hydroxypregnane-11,20-dione |
CAS-23930-19-0 |
Opera_ID_1629 |
Prestwick0_001002 |
Prestwick1_001002 |
Prestwick2_001002 |
Prestwick3_001002 |
(3alpha,5alpha)-3-hydroxypregnane-11,20-dione |
BIDD:PXR0037 |
Lopac0_000929 |
Pregnane-11,20-dione, 3-hydroxy-, (3a,5a)- |
SCHEMBL57756 |
BSPBio_001123 |
4-08-00-02091 (Beilstein Handbook Reference) |
5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy- |
SPBio_003004 |
BPBio1_001237 |
GTPL5461 |
DTXSID9022576 |
HMS1571I05 |
HMS2098I05 |
HMS2236N05 |
HMS3262J20 |
HMS3715I05 |
ZINC4081122 |
Tox21_110884 |
Tox21_500929 |
BDBM50164570 |
AKOS024457399 |
Tox21_110884_1 |
CCG-205010 |
DB11371 |
LP00929 |
SDCCGSBI-0050903.P002 |
5alpha-pregnane-3alpha-ol-11,20-dione |
NCGC00023100-04 |
NCGC00023100-05 |
NCGC00023100-06 |
NCGC00023100-08 |
NCGC00261614-01 |
(3?,5?)-3-Hydroxypregnane-11,20-dione |
AB00384358 |
B7253 |
EU-0100929 |
D07282 |
P 5052 |
SR-01000076070 |
J-015280 |
Q3611058 |
SR-01000000168-2 |
SR-01000000168-3 |
SR-01000076070-1 |
BRD-K41445866-001-03-0 |
5alpha-Pregnan-3alpha-ol-11,20-dione, powder, >=98% (TLC) |
(3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione |
Pregnane-11,20-dione, 3-hydroxy-, (3-alpha,5-alpha)- (9CI) |
(3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopentaaphenanthren-11-one |
EY4 |
Experimental Data
Alphaxalone
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Alphaxalone
Statistics Data
Alphaxalone
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.000000000000000 | 1 | 1 |
Statistics Data Visualization
Alphaxalone
