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Orlistat

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For Research Use Only | Not For Clinical Use
CATAPS96829582
CAS96829-58-2
Structure
MDL NumberMFCD05662360
SynonymsRo 18-0647/002, Orlistat, L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2alpha(R*),3beta]]-, Tetrahydrolipstatin, Xenical,(-)-Tetrahydrolipstatin
IUPAC Name[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
Molecular Weight495.73
Molecular FormulaC29H53NO5
Canonical SMILESCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChIInChI=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 KeyAHLBNYSZXLDEJQ-FWEHEUNISA-N
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass495.3924
Formneat
FormatNeat
Size200MG
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