C22H42O3
354.6 g/mol
APIWarning
(3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone
CAS104872-06-2EC418-650-2
Category
API
Compound Class
Ester
Primary Use
Pharmaceutical Raw Material
Orlistat is a pharmaceutical reference standard used in quality control and analytical testing. This compound is a lipase inhibitor with a complex stereochemistry, characterized by a single heterocyclic ring and a long aliphatic chain.
pharmaceutical reference standard for analytical testingcompound used in quality control of drug substances
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
ReferenceSame Category
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ReferenceSame Category
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Referencesame scaffold
(R)-(2-Oxo-3-oxetanyl)carbamic acid tert-butyl ester
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pharmaceutical intermediate
Referencesame scaffold
Orlistat
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Referencesame scaffold
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Referencesame scaffold
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Safety Reference
Warning
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
H317May cause an allergic skin reaction
H373May cause damage to organs through prolonged or repeated exposure
Customs Tariff Classification
The international HS code for (3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone (CAS 104872-06-2) is 2932.20.
HS code (international, 6-digit)
2932.20
EU CN code (8-digit)
2932 20 90
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
(3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one
InChIKey
RSOUWOFYULUWNE-HKBOAZHASA-N
SMILES
CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)O
Synonyms (9)
- (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone; 2-Oxetanone, 3-hexyl-4-(2-hydroxytridecyl)-, [3S-[3a,4ss(S*)]]-; Orlistat Related Compound A (USP)
- Orlistat USP RC A
Sourcing (3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone?
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