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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H40O2
Molecular Weight 336.5518
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORLISTAT HEXYL UNDECYL PYRANONE

SMILES

CCCCCCCCCCC[C@H]1CC=C(CCCCCC)C(=O)O1

InChI

InChIKey=PNTFVBMYNOKWQP-NRFANRHFSA-N
InChI=1S/C22H40O2/c1-3-5-7-9-10-11-12-13-15-17-21-19-18-20(22(23)24-21)16-14-8-6-4-2/h18,21H,3-17,19H2,1-2H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H40O2
Molecular Weight 336.5518
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:41:12 GMT 2023
Edited
by admin
on Sat Dec 16 10:41:12 GMT 2023
Record UNII
6UHB3M28SJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORLISTAT HEXYL UNDECYL PYRANONE
Common Name English
2H-PYRAN-2-ONE, 3-HEXYL-5,6-DIHYDRO-6-UNDECYL-, (S)-
Systematic Name English
Code System Code Type Description
CAS
130676-64-1
Created by admin on Sat Dec 16 10:41:12 GMT 2023 , Edited by admin on Sat Dec 16 10:41:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID90562127
Created by admin on Sat Dec 16 10:41:12 GMT 2023 , Edited by admin on Sat Dec 16 10:41:12 GMT 2023
PRIMARY
PUBCHEM
14607526
Created by admin on Sat Dec 16 10:41:12 GMT 2023 , Edited by admin on Sat Dec 16 10:41:12 GMT 2023
PRIMARY
FDA UNII
6UHB3M28SJ
Created by admin on Sat Dec 16 10:41:12 GMT 2023 , Edited by admin on Sat Dec 16 10:41:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY