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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H53NO5
Molecular Weight	495.7348
Optical Activity	UNSPECIFIED
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-NFGXINMFSA-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-/m0/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

Targets

Primary Target	Pharmacology	Condition	Potency
Sn1-specific diacylglycerol lipase alpha 1 Target ID: CHEMBL5545 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18831576	Inhibitor 8504		5.0 µM [IC50]
Pancreatic lipase 5 Target ID: CHEMBL1812 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22125382	Inhibitor 8504		0.14 mM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:35:08 GMT 2025` Edited by `admin` on `Mon Mar 31 22:35:08 GMT 2025`
Record UNII	7QMQ98VHOQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

D-LEUCINE ORLISTAT

Preferred Name

English

D-LEUCINE, N-FORMYL-, (1S)-1-(((2S,3S)-3-HEXYL-4-OXO-2-OXETANYL)METHYL)DODECYL ESTER

Systematic Name

English

LEUCINE ORLISTAT, (-)-

Common Name

English

N-FORMYL-D-LEUCINE (S)-1-(((2S,3S)-3-HEXYL-4-OXO-2-OXETANYL)METHYL)DODECYL ESTER

Systematic Name

English

D-LEUCINE ORLISTAT [USP IMPURITY]

Common Name

English

LEUCINE ORLISTAT, D-

Common Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50146801

Created by admin on Mon Mar 31 22:35:08 GMT 2025 , Edited by admin on Mon Mar 31 22:35:08 GMT 2025

PRIMARY

PUBCHEM

13817938

Created by admin on Mon Mar 31 22:35:08 GMT 2025 , Edited by admin on Mon Mar 31 22:35:08 GMT 2025

PRIMARY

CAS

104872-28-8

Created by admin on Mon Mar 31 22:35:08 GMT 2025 , Edited by admin on Mon Mar 31 22:35:08 GMT 2025

PRIMARY

FDA UNII

7QMQ98VHOQ

Created by admin on Mon Mar 31 22:35:08 GMT 2025 , Edited by admin on Mon Mar 31 22:35:08 GMT 2025

PRIMARY

Related Record Type Details


					95M8R751W8

ORLISTAT

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: