U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H64N2O5
Molecular Weight 616.9145
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORLISTAT OPEN RING AMIDE

SMILES

CCCCCCCCCCC[C@@H](C[C@H](O)[C@H](CCCCCC)C(=O)N[C@H](C)C1=CC=CC=C1)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChIKey=VRTOQAVTQOAFHC-IZIWAXSGSA-N
InChI=1S/C37H64N2O5/c1-6-8-10-12-13-14-15-16-20-24-32(44-37(43)34(38-28-40)26-29(3)4)27-35(41)33(25-21-11-9-7-2)36(42)39-30(5)31-22-18-17-19-23-31/h17-19,22-23,28-30,32-35,41H,6-16,20-21,24-27H2,1-5H3,(H,38,40)(H,39,42)/t30-,32+,33+,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H64N2O5
Molecular Weight 616.9145
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:41:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:41:11 GMT 2023
Record UNII
8JJY79EVC9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORLISTAT OPEN RING AMIDE
Common Name English
(7S,8S,10S)-8-HYDROXY-7-(((R)-1-PHENYLETHYL)CARBAMOYL)HENICOSAN-10-YL FORMYL-L-LEUCINATE
Systematic Name English
ORLISTAT OPEN RING AMIDE [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
162623595
Created by admin on Sat Dec 16 10:41:11 GMT 2023 , Edited by admin on Sat Dec 16 10:41:11 GMT 2023
PRIMARY
FDA UNII
8JJY79EVC9
Created by admin on Sat Dec 16 10:41:11 GMT 2023 , Edited by admin on Sat Dec 16 10:41:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP