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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H15ClO4S
Molecular Weight 362.827
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIBEGLISENE, (R)-

SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CC#CC2=CC=C(Cl)C=C2)C(O)=O

InChI

InChIKey=PZCCKADCRMBHIC-QGZVFWFLSA-N
InChI=1S/C18H15ClO4S/c1-13-5-11-16(12-6-13)24(22,23)17(18(20)21)4-2-3-14-7-9-15(19)10-8-14/h5-12,17H,4H2,1H3,(H,20,21)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H15ClO4S
Molecular Weight 362.827
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 10:14:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:08 GMT 2023
Record UNII
QBQ50WMD6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIBEGLISENE, (R)-
Common Name English
4-PENTYNOIC ACID, 5-(4-CHLOROPHENYL)-2-((4-METHYLPHENYL)SULFONYL), (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
QBQ50WMD6X
Created by admin on Sat Dec 16 10:14:08 GMT 2023 , Edited by admin on Sat Dec 16 10:14:08 GMT 2023
PRIMARY
PUBCHEM
76969288
Created by admin on Sat Dec 16 10:14:08 GMT 2023 , Edited by admin on Sat Dec 16 10:14:08 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER