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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16O
Molecular Weight 236.3083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of XENIPENTONE

SMILES

CC(=O)\C=C(/C)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=AAOLGDRTKZMLIG-OUKQBFOZSA-N
InChI=1S/C17H16O/c1-13(12-14(2)18)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b13-12+

HIDE SMILES / InChI

Molecular Formula C17H16O
Molecular Weight 236.3083
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:06:08 GMT 2025
Edited
by admin
on Mon Mar 31 18:06:08 GMT 2025
Record UNII
GP581VM303
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XENIPENTONE
INN  
INN  
Official Name English
xenipentone [INN]
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
Code System Code Type Description
FDA UNII
GP581VM303
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
EVMPD
SUB00103MIG
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
PUBCHEM
5705661
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
ChEMBL
CHEMBL2104473
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
SMS_ID
100000079354
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
CAS
55845-78-8
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
INN
4926
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
NCI_THESAURUS
C66664
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID901023979
Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY