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Sonolisib

Molecular FormulaC₂₉H₃₅NO₈
Average mass525.590 Da
Monoisotopic mass525.236267 Da
ChemSpider ID8025448

- Double-bond stereo
- 5 of 5 defined stereocentres

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Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1E,4S,4aR,5R,6aS,9aR)-1-[(Diallylamino)methylen]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl-acetat [German] [ACD/IUPAC Name]

(1E,4S,4aR,5R,6aS,9aR)-1-[(Diallylamino)methylene]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate [ACD/IUPAC Name]

(1E,4S,4aR,5R,6aS,9aR)-1-[(diprop-2-en-1-ylamino)methylidene]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

502632-66-8 [RN]

Acétate de (1E,4S,4aR,5R,6aS,9aR)-1-[(diallylamino)méthylène]-11-hydroxy-4-(méthoxyméthyl)-4a,6a-diméthyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodécahydroindéno[4,5-h]isochromén-5-yle [French] [ACD/IUPAC Name]

Cyclopenta[5,6]naphtho[1,2-c]pyran-2,7,10(1H)-trione, 5-(acetyloxy)-1-[(di-2-propen-1-ylamino)methylene]-4,4a,5,6,6a,8,9,9a-octahydro-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-, (1E,4S,4aR,5R,6aS,9a R)- [ACD/Index Name]

cyclopenta[5,6]naphtho[1,2-c]pyran-2,7,10(1H)-trione, 5-(acetyloxy)-1-[(di-2-propen-1-ylamino)methylene]-4,4a,5,6,6a,8,9,9a-octahydro-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-, (1E,4S,4aR,5R,6aS,9aR)-

Sonolisib [INN]

Sonolisib [Spanish] [INN]

Sonolisib [French] [INN]

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Sonolisib [Latin] [INN]

(1E,4S,4aR,5R,6aS,9aR)-1-{[di(prop-2-en-1-yl)amino]methylidene}-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

(4S,4aR,5R,6aS,9aR)-1-((diallylamino)methylene)-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

(4S,4aR,5R,6aS,9aR,E)-1-((diallylamino)methylene)-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

[(3aR,6E,9S,9aR,10R,11aS)-6-[(di(prop-2-enyl)amino)methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] acetate

[(3aR,6E,9S,9aR,10R,11aS)-6-[(di(prop-2-enyl)amino)methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] ethanoate

[(3aR,6E,9S,9aR,10R,11aS)-6-[(diallylamino)methylene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] acetate

[(3aR,6E,9S,9aR,10R,11aS)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate

acetic acid [(3aR,6E,9S,9aR,10R,11aS)-6-[(diallylamino)methylene]-5-hydroxy-1,4,7-triketo-9-(methoxymethyl)-9a,11a-dimethyl-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] ester

acetic acid [(3aR,6E,9S,9aR,10R,11aS)-6-[(diallylamino)methylene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] ester

DJM-166

DJM-2-166

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL411907/

NSC-722134

PX 866

PX866

PX-866

Sonolisib (PX-866)

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9630 [DBID]

987796874T [DBID]

UNII:987796874T [DBID]

UNII-987796874T [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	651.4±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization:	109.9±6.0 kJ/mol
Flash Point:	347.7±31.5 °C
Index of Refraction:	1.586
Molar Refractivity:	137.3±0.4 cm³
#H bond acceptors:	9
#H bond donors:	1
#Freely Rotating Bonds:	9
#Rule of 5 Violations:	1

ACD/LogP:	2.37
ACD/LogD (pH 5.5):	2.49
ACD/BCF (pH 5.5):	45.57
ACD/KOC (pH 5.5):	534.86
ACD/LogD (pH 7.4):	2.38
ACD/BCF (pH 7.4):	35.46
ACD/KOC (pH 7.4):	416.22
Polar Surface Area:	119 Å²
Polarizability:	54.4±0.5 10^-24cm³
Surface Tension:	53.7±5.0 dyne/cm
Molar Volume:	409.2±5.0 cm³

Click to predict properties on the Chemicalize site

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Sonolisib

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