Compound Summary
Compound Information
orlistat
Compound Name: | orlistat |
Compound CID: | 3034010 |
Synonyms: | orlistat 96829-58-2 Tetrahydrolipstatin Xenical Alli More... |
Iupac Name: | [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate |
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)/t24-,25-,26-,27-/m0/s1 |
InChIKey: | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
Canonical Smiles: | CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O |
Isomeric Smiles: | CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
Molecular Weight: | 495.7 |
Molecular Formula: | C29H53NO5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
orlistat
Molecular Weight: | 495.7 |
Molecular Formula: | C29H53NO5 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 23 |
Heavy Atom Count: | 35 |
Complexity: | 579 |
Synonyms
orlistat
| orlistat | orlistat |
|---|---|
orlistat |
96829-58-2 |
Tetrahydrolipstatin |
Xenical |
Alli |
Orlipastat |
(-)-Tetrahydrolipstatin |
Orlipastatum INN-Latin |
Ro-18-0647 |
(2S)-1-(2S,3S)-3-hexyl-4-oxooxetan-2-yltridecan-2-yl (2S)-2-formamido-4-methylpentanoate |
Ro 18-0647/002 |
(2S)-1-(2S,3S)-3-hexyl-4-oxooxetan-2-yltridecan-2-yl (2S)-2-formamido-4-methylpentanoate |
UNII-95M8R751W8 |
N-Formyl-L-leucine (1S)-1-(2S,3S)-3-hexyl-4-oxo-2-oxetanylmethyldodecyl ester |
Orlistat (Alli, Xenical) |
C29H53NO5 |
MLS002207022 |
CHEMBL175247 |
MFCD05662360 |
L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester |
95M8R751W8 |
Orlipastatum |
SMR000466339 |
THLP |
(S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl formyl-L-leucinate |
tetrahydrolipastatin |
L-Leucine, N-formyl-, (1S)-1-(2S,3S)-3-hexyl-4-oxo-2-oxetanylmethyldodecyl ester |
Xenical (TN) |
SR-01000759417 |
orlistatum |
Orlistat USAN:INN:BAN |
HSDB 7556 |
N-formyl-L-leucine (1S)-1-{(2S,3S)-3-hexyl-4-oxo-2-oxetanylmethyl}dodecyl ester |
THL |
zlchem 13 |
N-Formyl-L-leucine, ester with (3S,4S)-3-hexyl-4-((2S)-2-hydroxytridecyl)-2-oxetanone |
KS-1183 |
(-)-tetrahydrolipostatin |
R-212 |
Orlistat (JAN/USP/INN) |
Orlistat, >=98%, solid |
SCHEMBL16408 |
L-Leucine, N-formyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester, (2S-(2alpha(R*),3beta))- |
MLS000759448 |
MLS001423955 |
BIDD:GT0853 |
GTPL5277 |
DTXSID8023395 |
BDBM24567 |
CHEBI:94686 |
AOB6737 |
ZLA0015 |
Tetrahydrolipstatin;Ro-18-0647 |
HMS2051I08 |
HMS3413P06 |
HMS3677P06 |
HY-B0218 |
ZINC8214635 |
s1629 |
AKOS015894875 |
BCP9001031 |
CCG-100851 |
DB01083 |
NC00101 |
NSC 758881 |
(2S)-1-(2S,3S)-3-hexyl-4-oxooxetan-2-yltridecan-2-yl N-formyl-L-leucinate |
NCGC00165856-01 |
NCGC00165856-02 |
NCGC00165856-15 |
(1S)-1-(2S,3S)-3-hexyl-4-oxo-oxetan-2-ylmethyldodecyl (2S)-2-formamido-4-methyl-pentanoate |
BO164179 |
BCP0726000044 |
Tetrahydrolipstatin|||Ro 18-0647/002 |
Ro-180647002 |
O0381 |
Ro-180647-002 |
SW197481-2 |
Ro-18-0647/002 |
D04028 |
J90006 |
AB00639987-09 |
AB00639987_10 |
829O582 |
Q424163 |
Q-201519 |
SR-01000759417-5 |
SR-01000759417-7 |
Z2379810072 |
Orlistat, United States Pharmacopeia (USP) Reference Standard |
Orlistat, Pharmaceutical Secondary Standard; Certified Reference Material |
2-formamido-3-(3-hexyl-4-oxo-oxetan-2-yl)methyl-2-isobutyl-tetradecanoate |
N-formyl-L-leucine (S)-1-(2S,3S)-3-hexyl-4-oxo-2-oxetanylmethyldodecyl ester |
N-formyl-L-leucine-(S)-1-(2S,3S)-3-hexyl-4-oxo-2-oxetanylmethyl-dodecyl ester |
(2S)-2-formamido-4-methylpentanoic acid (2S)-1-(2S,3S)-3-hexyl-4-oxo-2-oxetanyltridecan-2-yl ester |
(S)-((S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl) 2-formamido-4-methylpentanoate |
(2S)-1-(2R,3S)-3-hexyl-4-oxooxetan-2-yltridecan-2-yl (2R)-2-formamido-4-methylpentanoate |
104872-04-0 |
Experimental Data
orlistat
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 6 | ug/mL | Unclear | N2 | 33683565 |
Experimental Data Visualization
orlistat
Statistics Data
orlistat
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 |
Statistics Data Visualization
orlistat
