Orlistat (CAS 96829-58-2) — formula C29H53NO5, molecular weight 495.7.
| CAS Number | 96829-58-2 |
|---|---|
| Molecular Formula | C29H53NO5 |
| Molecular Weight | 495.7 |
| Melting Point | 40-50 |
| Boiling Point | 616 |
| LogP | 4.4 |
Orlistat is a chemical compound with CAS registry number 96829-58-2 and molecular formula C29H53NO5 (molecular weight 495.7).
CAS number: 96829-58-2
Its molecular formula C29H53NO5 comprises 29 C, 53 H, 1 N, 5 O atoms.
Also known as: Orlistat · 奥利司他
The CAS registry number of Orlistat is 96829-58-2.
Molecular formula C29H53NO5, molecular weight 495.7.
It is also registered under: Orlistat, 奥利司他.
Independent reference data for Orlistat (CAS 96829-58-2), compiled from public chemistry databases.
| CAS Registry Number | 96829-58-2 |
|---|---|
| PubChem CID | 3034010 |
| Molecular formula | C29H53NO5 |
| IUPAC name | [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate |
| UNII (FDA) | 95M8R751W8 |
| Molecular Weight | 495.7 |
|---|---|
| XLogP3 | 10 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 23 |
| Exact Mass | 495.39237379 |
| Monoisotopic Mass | 495.39237379 |
| Topological Polar Surface Area | 81.7 |
| Heavy Atom Count | 35 |
| Boiling Point | 616 |
|---|---|
| Melting Point | 40-50 |
| Melting Point | 43 °C |
| Solubility | 9.19e-05 g/L |
| LogP | 4.4 |
| LogP | log Kow = 8.53 |
| LogP | 8.6 |
| Dissociation Constants | 15 |
orlistat; 96829-58-2; Tetrahydrolipstatin; Xenical; Orlipastat; Alli; (-)-Tetrahydrolipstatin; THLP; tetrahydrolipastatin; Ro 18-0647/002; orlistatum; [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate; DTXSID8023395; Ro-18-0647/002; (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate; 95M8R751W8
| GHS notification summary | 11.8% (2 / 17) |
|---|
| GHS notification summary | 11.8% (2 / 17) |
|---|---|
| Reported hazard statements | H411 (23.5%), H412 (52.9%) |
This chemical does not meet GHS hazard criteria for 11.8% (2 of 17) of reports.
H411 (23.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Orlistat · CAS 96829-58-2 · C29H53NO5. UNII 95M8R751W8. Boiling Point: 616; Melting Point: 40-50; Melting Point: 43 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 奥利司他