WHC is still in active development. Read this to understand our approach.
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tripsit

pst

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isomerdesign

Orlistat

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pubchem

Orlistat

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drugmap

Orlistat

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Data

InChI: InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)

Synonyms: HMS3677P06, Orlistat [USAN:INN],SW197481-2, N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester, Alli,Tetrahydrolipstatin;Ro-18-0647,ORLISTAT [USP MONOGRAPH],KS-1183, Alli,s1629, Ro 18-0647/008,ORLISTAT [VANDF], N-Formyl-L-leucine, ester with (3S,4S)-3-hexyl-4-((2S)-2-hydroxytridecyl)-2-oxetanone,ORLISTAT [USP-RS],(S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl formyl-L-leucinate,DTXSID8023395,AKOS015894875, 96829-58-2,ORLISTAT [HSDB],orlistatum,L-Leucine, N-formyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester, (2S-(2alpha(R*),3beta))-, L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester,829O582,R-212,THL, Xenical (TN),Orlistat, Pharmaceutical Secondary Standard; Certified Reference Material, (-)-Tetrahydrolipstatin,AB00639987-09,UNII-95M8R751W8,104872-04-0,NSC 758881,N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester,Ro18-0647,MFCD05662360, Hoffmann-La Roche brand of orlistat,Xenical (TN),HSDB 7556,SR-01000759417-7,(2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester, CHEMBL175247, Tetrahydrolipstatin,N-formyl-L-leucine (1S)-1-{[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl}dodecyl ester, MLS002207022,[(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate,NC00101,Ro-18-0647/002,N-formyl-L-leucine (S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester,N-Formyl-L-leucine, ester with (3S,4S)-3-hexyl-4-((2S)-2-hydroxytridecyl)-2-oxetanone,HMS2051I08,O0381, Orlipastat,(S)-((S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl) 2-formamido-4-methylpentanoate,HMS3413P06,Tetrahydrolipstatin,Orlipastat,D04028,L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester, Orlistat (Alli, Xenical), Xenical,CHEBI:94686,ORLISTAT [MART.], [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate,Orlistat (Alli, Xenical),poppy-tea,ORLISTAT [JAN],Orlistat,NCGC00165856-15,BO164179,ZINC8214635,SR-01000759417,SR-01000759417-5,AB00639987_10, Orlipastatum [INN-Latin],HY-B0218,Orlistat, >=98%, solid,(-)-Tetrahydrolipstatin, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl-2-formamido-4-methylvalerate, THLP,CHEMBL175247,NCGC00165856-01,[(2S)-1-[(2R,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2R)-2-formamido-4-methylpentanoate,Lipase Inhibitor, THL,GTPL5277,poppy-seed-tea,Q-201519, Ro 18-0647/002,ORLISTAT [MI],Q424163,ORLISTAT [USAN],Ro 18-0647/002, Alli (TN),NCGC00165856-02, GlaxoSmithKline brand of orlistat,orlistat,ORLISTAT [INN],Orlistat (JAN/USP/INN), Orlipastatum, C29H53NO5, L-Leucine,N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester, KS-1183,Orlipastatum,R212,Ro-180647002,L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester,(-)-tetrahydrolipostatin,N-formyl-L-leucine-(S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-dodecyl ester,Z2379810072,Orlistat [USAN:INN:BAN], Orlistat (USAN/INN),BDBM24567,EN300-268136,Ro-180647-002, Alli, Xenical, Tetrahydrolipstatin, Orlistat,BIDD:GT0853,NSC-758881,ORLISTAT [WHO-DD],MLS001423955,96829-58-2, R-212,DB01083,ORLISTAT [EMA EPAR],MLS002207022,CCG-100851,THLP,ORLISTAT [ORANGE BOOK], Ro-18-0647,Alli,MLS000759448,Orlistat, United States Pharmacopeia (USP) Reference Standard,2-formamido-3-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]-2-isobutyl-tetradecanoate,(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate,SMR000466339,Ro-18-0647, Roche brand of orlistat,tetrahydrolipastatin, TETRAHYDROLIPSTATIN, (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate,95M8R751W8,[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate,Xenical,BCP0726000044, UNII-95M8R751W8,SCHEMBL16408,L-LEUCINE, N-FORMYL-, 1-((3-HEXYL-4-OXO-2-OXETANYL)METHYL)DODECYL ESTER, (2S-(2.ALPHA.(R*),3.BETA.))-,(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate,BCP9001031,Orlipastatum [INN-Latin]

Estimated data

Solubility: -6.843 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 45.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.