Orlistat, (S,R,S,S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H53NO5
Molecular Weight	495.7348
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChIKey=AHLBNYSZXLDEJQ-WKAQUBQDSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Orlistat, (S,R,S,S)-

Common Name

English

(S,R,S,S)-Orlistat

Preferred Name

English

N-Formyl-L-leucine (1R)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Systematic Name

English

Orlistat (S,R,S,S)-Isomer

Common Name

English

(2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate

Systematic Name

English

L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2?(S*),3?]]-

Systematic Name

English

L-Leucine, N-formyl-, (1R)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

11092253

Created by admin on Wed Apr 02 17:52:00 GMT 2025 , Edited by admin on Wed Apr 02 17:52:00 GMT 2025

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FDA UNII

8AFA348TR6

Created by admin on Wed Apr 02 17:52:00 GMT 2025 , Edited by admin on Wed Apr 02 17:52:00 GMT 2025

PRIMARY

CAS

111466-63-8

Created by admin on Wed Apr 02 17:52:00 GMT 2025 , Edited by admin on Wed Apr 02 17:52:00 GMT 2025

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SUBSTANCE RECORD


					8AFA348TR6

Orlistat, (S,R,S,S)-