Cas no 111466-61-6 ((S,R,R,R)-Orlistat)

(S,R,R,R)-Orlistat structure
(S,R,R,R)-Orlistat structure
Product Name:(S,R,R,R)-Orlistat
CAS No:111466-61-6
MF:C29H53NO5
MW:495.73482966423
CID:894445
PubChem ID:11443335
Update Time:2025-11-02

(S,R,R,R)-Orlistat Chemical and Physical Properties

Names and Identifiers

    • (S,R,R,R)-Orlistat
    • [14C]-Orlistat
    • Orlistat (S,R,R,R)-Isomer
    • N-Formyl-L-leucine (1R)-1-[[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl] methyl] dodecyl ester
    • BDBM50465323
    • SCHEMBL10922890
    • L-Leucine, N-formyl-, (1R)-1-[[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
    • N-Formyl-L-leucine (1R)-1-[[(2R,3R)-3-Hexyl-4-oxo-2-oxetanyl]methyl]dodecyl Ester
    • Orlistat, (S,R,R,R)-
    • 111466-61-6
    • (S)-(R)-1-((2R,3R)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate
    • NX2FG87XNG
    • CHEMBL4282318
    • L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2R-[2alpha(R*),3beta]]-
    • 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-/m1/s1
    • InChI Key: AHLBNYSZXLDEJQ-JVYGEBFASA-N
    • SMILES: O1C([C@H](CCCCCC)[C@H]1C[C@@H](CCCCCCCCCCC)OC([C@H](CC(C)C)NC=O)=O)=O

Computed Properties

  • Exact Mass: 495.39200
  • Monoisotopic Mass: 495.39237379g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 23
  • Complexity: 579
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • PSA: 81.70000
  • LogP: 7.90870

(S,R,R,R)-Orlistat Pricemore >>

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