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Description

Orlistat · CAS 96829-58-2 · C29H53NO5. UNII 95M8R751W8. Boiling Point: 616; Melting Point: 40-50; Melting Point: 43 °C.

Identification

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

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

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

Physical description & handling notes

• Solid
• Crystals
• Practically insoluble in water, freely soluble in chloroform, and very soluble in methanol and ethanol.
• Specific optical rotation at 20 °C: -32.0 deg ( c = 1 in chloroform)
• Negative optical rotation in ethanol at 529 nm
• Orlistat has no pKa within the physiological range

Regulatory Status

GHS notification summary	11.8% (2 / 17)

GHS Hazard Classification

GHS notification summary	11.8% (2 / 17)
Reported hazard statements	H411 (23.5%), H412 (52.9%)

Documented Uses

• For obesity management including weight loss and weight maintenance when used in conjunction with a reduced-calorie diet. Also used to reduce the risk for weight regain after prior weight loss.
• Use (kg; approx.) in Germany (2009): >2500
• Consumption (g per capita; approx.) in Germany (2009): 0.0305
• Consumption (g per capita) in the USA (2002): 0.0507
• Isolation from fermentation broth of Streptomyces toxyricini: P Hadvary et al, EP 129748; eidem, US 4598089 (1985, 1986 both to Hoffmann-LaRoche)
• Orlistat is indicated for obesity management including weight loss and weight maintenance when used in combination with calorie reduction in overweight and obese adults; this indication applies to both the prescription formulation of 120 mg and the over-the-counter formulation of 60 mg. Orlistat in the 120 mg prescription formulation is also indicated to reduce the risk of weight regain following weight loss.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Orlistat?

CAS 96829-58-2; molecular formula C29H53NO5; molecular weight — g/mol.

What other names is Orlistat known by?

orlistat, 96829-58-2, Tetrahydrolipstatin, Xenical, Orlipastat, Alli.

Is Orlistat classified as hazardous?

11.8% of GHS notifications report no hazard classification (2 of 17).

What are the key physical properties of Orlistat?

Boiling Point: 616; Melting Point: 40-50; Melting Point: 43 °C; Solubility: 9.19e-05 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.