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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H55NO6
Molecular Weight 513.7501
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORLISTAT OPEN RING EPIMER

SMILES

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

InChI

InChIKey=FKUNIADJSAJLGB-YIPNQBBMSA-N
InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H55NO6
Molecular Weight 513.7501
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 Sat Dec 16 09:14:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:39 GMT 2023
Record UNII
F0N5S1WW2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORLISTAT OPEN RING EPIMER
Common Name English
(2S,3R,5S)-5-((S)-2-FORMYLAMINO-4-METHYL-PENTANOYLOXY)-2-HEXYL-3-HYDROXY-HEXADECANOIC ACID
Systematic Name English
L-LEUCINE, N-FORMYL-, (1S)-1-((2R,3S)-3-CARBOXY-2-HYDROXYNONYL)DODECYL ESTER
Systematic Name English
N-FORMYL-L-LEUCINE (1S)-1-((2R,3S)-3-CARBOXY-2-HYDROXYNONYL)DODECYL ESTER
Systematic Name English
ORLISTAT OPEN RING EPIMER [USP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801147205
Created by admin on Sat Dec 16 09:14:39 GMT 2023 , Edited by admin on Sat Dec 16 09:14:39 GMT 2023
PRIMARY
PUBCHEM
59434860
Created by admin on Sat Dec 16 09:14:39 GMT 2023 , Edited by admin on Sat Dec 16 09:14:39 GMT 2023
PRIMARY
CAS
130793-28-1
Created by admin on Sat Dec 16 09:14:39 GMT 2023 , Edited by admin on Sat Dec 16 09:14:39 GMT 2023
PRIMARY
FDA UNII
F0N5S1WW2U
Created by admin on Sat Dec 16 09:14:39 GMT 2023 , Edited by admin on Sat Dec 16 09:14:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP