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Orlistat

CAS 96829-58-2C29H53NO5MW 495.7

Orlistat (CAS 96829-58-2) — formula C29H53NO5, molecular weight 495.7.

Product Overview

CAS Number96829-58-2
Molecular FormulaC29H53NO5
Molecular Weight495.7
Melting Point40-50
Boiling Point616
LogP4.4

Technical Profile

What this product is

Orlistat is a chemical compound with CAS registry number 96829-58-2 and molecular formula C29H53NO5 (molecular weight 495.7).

Identification

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

Frequently Asked Questions

What is the CAS number of Orlistat?

The CAS registry number of Orlistat is 96829-58-2.

What is the molecular formula and molecular weight of Orlistat?

Molecular formula C29H53NO5, molecular weight 495.7.

What other names is Orlistat known by?

It is also registered under: Orlistat, 奥利司他.

PubChem Public Data

Independent reference data for Orlistat (CAS 96829-58-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number96829-58-2
PubChem CID3034010
Molecular formulaC29H53NO5
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 Weight495.7
XLogP310
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count23
Exact Mass495.39237379
Monoisotopic Mass495.39237379
Topological Polar Surface Area81.7
Heavy Atom Count35

Physicochemical values on record

Boiling Point616
Melting Point40-50
Melting Point43 °C
Solubility9.19e-05 g/L
LogP4.4
LogPlog Kow = 8.53
LogP8.6
Dissociation Constants15

Documented uses on record

    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

    Synonyms and trade names

    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

    Regulatory listings held on file

    GHS notification summary11.8% (2 / 17)

    GHS hazard classification

    GHS notification summary11.8% (2 / 17)
    Reported hazard statementsH411 (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]

    What the public record says

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

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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