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

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

Approval Year

Name Type Language
Orlistat, (S,R,R,R)-
Common Name English
(S,R,R,R)-Orlistat
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-[2α(R*),3β]]-
Systematic Name English
Code System Code Type Description
CAS
111466-61-6
Created by admin on Sat Dec 16 19:57:31 GMT 2023 , Edited by admin on Sat Dec 16 19:57:31 GMT 2023
PRIMARY
PUBCHEM
11443335
Created by admin on Sat Dec 16 19:57:31 GMT 2023 , Edited by admin on Sat Dec 16 19:57:31 GMT 2023
PRIMARY
FDA UNII
NX2FG87XNG
Created by admin on Sat Dec 16 19:57:31 GMT 2023 , Edited by admin on Sat Dec 16 19:57:31 GMT 2023
PRIMARY