ChemicalBook--->CAS DataBase List--->104872-06-2

104872-06-2

104872-06-2 Structure

104872-06-2 Structure
IdentificationBack Directory
[Name]

(3S,4S)-3-HEXYL-4-[(R)-2-(HYDROXYTRIDECYL)]OXETAN-2-ONE
[CAS]

104872-06-2
[Synonyms]

Orlistat USP RC A
Orlistat Impurity A
Orlistat Related CoMpound A
Orlistat USP Related Compound A
Orlistat Related Compound A (25 mg)
Orlistat Impurity 1(Orlistat USP RC A)
Orlistat impurity 2/Orlistat USP Related Compound A
(3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone
(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
(3S,4S)-3-HEXYL-4-[(R)-2-(HYDROXYTRIDECYL)]OXETAN-2-ONE
2-Oxetanone,3-hexyl-4-[(2R)-2-hydroxytridecyl]-, (3S,4S)-
[3S-[3α,4β(S*)]]-3-Hexyl-4-(2-hydroxytridecyl)-2-oxetanone
Orlistat Related Compound A (25 mg) ((3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone)
Orlistat Related Compound A ((3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone) (1478811)
[EINECS(EC#)]

418-650-2
[Molecular Formula]

C22H42O3
[MDL Number]

MFCD13185910
[MOL File]

104872-06-2.mol
[Molecular Weight]

354.57
Chemical PropertiesBack Directory
[Melting point ]

61-62 °C
[Boiling point ]

467.9±18.0 °C(Predicted)
[density ]

0.935
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.71±0.20(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1
[InChIKey]

RSOUWOFYULUWNE-HKBOAZHASA-N
[SMILES]

O1[C@H]([C@@H](C1=O)CCCCCC)C[C@H](O)CCCCCCCCCCC
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

50/53
[Safety Statements ]

60-61
[HS Code ]

2932206000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone (Orlistat USP Related Compound A) is an analog of Tetrahydrolipstatin, an inhibitor of the hydrolysis of endocannabinoid 2-arachidonoylglycerol (2-AG), also an intermediate in the preparation of Orlistat (O686500).
[Uses]

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone is an analog of Tetrahydrolipstatin, an inhibitor of the hydrolysis of endocannabinoid 2-arachidonoylglycerol (2-AG), also an intermediate in the preparation of Orlistat (O686500).
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