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

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-JVYGEBFASA-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

Molecular Formula	C29H53NO5
Molecular Weight	495.7348
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:52:00 GMT 2025` Edited by `admin` on `Wed Apr 02 17:52:00 GMT 2025`
Record UNII	NX2FG87XNG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S,R,R,R)-Orlistat

Preferred Name

English

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

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

111466-61-6

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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PUBCHEM

11443335

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

NX2FG87XNG

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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