Orlistat | CAS No. 96829-58-2

Orlistat

Basic Information

CAS Number

96829-58-2

Molecular Formula

C29H53NO5

Molecular Weight

495.75 g/mol

AD

Basic Physical Properties

Melting Point

43.0 to 47.0 deg-C

Boiling Point

615.9°C at 760 mmHg

Density

0.976

Flash Point

326.3 oC

Solubility

DMSO: 19 mg/mL

Refractive Index

1.469

Specific Rotation

-33 - -36° (c=1, CHCl3)

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O

InChI

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

InChIKey

AHLBNYSZXLDEJQ-FWEHEUNISA-N

LogP

6.881900000000007

Topological Polar Surface Area

81.69999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

579

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Orlistat
  • N-FORMYL-L-LEUCINE (1S)-1-[[(2S,3S)-3-HEXYL-4-OXO-2-OXETANYL]METHYL]DODECYL ESTER
  • RO-18-0647
  • (S)-2-FORMYLAMINO-4-METHYL-PENTANOIC ACID (S)-1-[[(2S,3S)-3-HEXYL-4-OXO-2-OXETANYL]METHYL]-DODECYL ESTER
  • (-)-TETRAHYDROLIPSTATIN
  • XENICAL
  • (-)-Tetrahydrolipstatin(EquivalentToOrlistat)
  • Orlipastat
  • Xenical, (-)-Tetrahydrolipstatin, N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl Ester,
  • Orlistat, Tetrahydolipstat
  • ORLIPASTATUM
  • (-)-Tetrahydrolipstatin, Ro-18-0647, N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
  • L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
  • N-Formyl-L-leucine (1S)-1-[[(2S)-3α-hexyl-4-oxooxetan-2β-yl]methyl]dodecyl ester
  • N-Formyl-L-leucine (S)-1-[[(2S)-3α-hexyl-4-oxooxetane-2β-yl]methyl]dodecyl ester
  • Orlistat Powder
  • (S)-2-FORMYLAMINO-4-METHYL-PENTANOIC ACID
  • [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
  • 002
  • Alli
  • Ro 18-0647
  • Tetrahydrolipstatin
  • THLP
  • (−)-Tetrahydrolipstatin
  • Orlipastatum [INN-Latin]
  • C29H53NO5
  • (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate
  • Orlistat (Alli, Xenical)
  • MLS002207022
  • N-Formyl-L-le
  • L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2α(R*),3β]]- (ZCI)

MDL Number

MFCD05662360

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