CAS Number96829-58-2
Synonyms[2S-[2a(R*),3b]]-N-Formyl-L-leucine 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester; (−)-Tetrahydrolipstatin; (2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formyl-L-leucinate; Tetrahydrolipstatin; MFCD05662360; (2S)-1-[(2S,3S)-3-Hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate; Alli; (1S)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}dodecyl N-formyl-L-leucinate; Orlistat; (1S)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}dodecyl (2S)-2-(formylamino)-4-methylpentanoate; Orlipastat; Orlipastatum; L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester; Xenical; (-)-Tetrahydrolipstatin; THLP
Molecular FormulaC29H53NO5
Molecular Weight495.73
Purity≥98%
Density1.0±0.1 g/cm3
Boiling Point615.9±30.0 °C at 760 mmHg
Melting Point<50 °C
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 96829-58-2 |
| Catalog No. | 2A-0201402 |
| Chinese Name | 奥利司他 |
| Synonyms | [2S-[2a(R*),3b]]-N-Formyl-L-leucine 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester; (−)-Tetrahydrolipstatin; (2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formyl-L-leucinate; Tetrahydrolipstatin; MFCD05662360; (2S)-1-[(2S,3S)-3-Hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate; Alli; (1S)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}dodecyl N-formyl-L-leucinate; Orlistat; (1S)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}dodecyl (2S)-2-(formylamino)-4-methylpentanoate; Orlipastat; Orlipastatum; L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester; Xenical; (-)-Tetrahydrolipstatin; THLP |
| Molecular Formula | C29H53NO5 |
| Molecular Weight | 495.73 |
| Purity | ≥98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 615.9±30.0 °C at 760 mmHg |
| Melting Point | <50 °C |
| Appearance | solid |
| Water Solubility | DMSO: 19 mg/mL |
| Storage Condition | 2-8°C |
| Application | Orlistat is a lipase inhibitor used to control obesity, which works by inhibiting the absorption of dietary fat. |
| PubChem ID | 24724564 |
| MDL Number | MFCD05662360 |
| SMILES | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
| 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 |
| InChI Key | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
| NACRES Code | NA.77 |
| UNSPSC | 41106300 |
| Hazard Symbols | Transport |
| MSDS | msds/11788_1_96829_58_2.pdf |
| Bioactivity | Orlistat is a lipase inhibitor for obesity management that acts by inhibiting the absorption of dietary fats. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Fatty Acid Synthase (FAS) Research Areas >> Metabolic Disease References [1]. Zhi J, et al. Review of limited systemic absorption of orlistat, a lipase inhibitor, in healthy human volunteers. J Clin Pharmacol. 1995 Nov;35(11):1103-8. [2]. Padwal R, et al. Long-term pharmacotherapy for obesity and overweight. Cochrane Database Syst Rev. 2004;(3):CD004094. [3]. Zhang E, et al. Glycycoumarin Sensitizes Liver Cancer Cells to ABT-737 by Targeting De Novo Lipogenesis and TOPK-Survivin Axis. Nutrients. 2018 Mar 15;10(3). pii: E353. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 615.9±30.0 °C at 760 mmHg Melting Point <50ºC Molecular Formula C29H53NO5 Molecular Weight 495.735 Flash Point 326.3±24.6 °C Exact Mass 495.392365 PSA 81.70000 LogP 8.94 Appearance of Characters solid | white Vapour Pressure 0.0±1.8 mmHg at 25°C Index of Refraction 1.470 InChIKey AHLBNYSZXLDEJQ-FWEHEUNISA-N SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O Storage condition 2-8°C Water Solubility DMSO: 19 mg/mL |
| Use of | Orlistat is a lipase inhibitor for obesity management that acts by inhibiting the absorption of dietary fats. Properties Articles25 Name [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate Synonym More Synonyms Orlistat Biological Activity Description Orlistat is a lipase inhibitor for obesity management that acts by inhibiting the absorption of dietary fats. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Fatty Acid Synthase (FAS) Research Areas >> Metabolic Disease References [1]. Zhi J, et al. Review of limited systemic absorption of orlistat, a lipase inhibitor, in healthy human volunteers. J Clin Pharmacol. 1995 Nov;35(11):1103-8. [2]. Padwal R, et al. Long-term pharmacotherapy for obesity and overweight. Cochrane Database Syst Rev. 2004;(3):CD004094. [3]. Zhang E, et al. Glycycoumarin Sensitizes Liver Cancer Cells to ABT-737 by Targeting De Novo Lipogenesis and TOPK-Survivin Axis. Nutrients. 2018 Mar 15;10(3). pii: E353. Chemical & Physical Properties Molecular Formula C29H53NO5 Exact Mass 495.392365 PSA 81.70000 Appearance of Characters solid | white Index of Refraction 1.470 InChIKey AHLBNYSZXLDEJQ-FWEHEUNISA-N |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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