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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClO8S
Molecular Weight 444.883
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANCOTRIONE

SMILES

CS(=O)(=O)C1=C(OCCC2OCCO2)C(Cl)=C(C=C1)C(=O)C3C(=O)CCCC3=O

InChI

InChIKey=LCENPEOVNAWOSE-UHFFFAOYSA-N
InChI=1S/C19H21ClO8S/c1-29(24,25)14-6-5-11(18(23)16-12(21)3-2-4-13(16)22)17(20)19(14)28-8-7-15-26-9-10-27-15/h5-6,15-16H,2-4,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H21ClO8S
Molecular Weight 444.883
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:59:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:30 GMT 2023
Record UNII
KMQ9P5LG22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LANCOTRIONE
ISO  
Official Name English
2-CYCLOHEXEN-1-ONE, 2-(2-CHLORO-3-(2-(1,3-DIOXOLAN-2-YL)ETHOXY)-4-(METHYLSULFONYL)BENZOYL)-3-HYDROXY-
Common Name English
2-(2-CHLORO-3-(2-(1,3-DIOXOLAN-2-YL)ETHOXY)-4-(METHYLSULFONYL)BENZOYL)-3-HYDROXY-2-CYCLOHEXEN-1-ONE
Systematic Name English
1,3-CYCLOHEXANEDIONE, 2-(2-CHLORO-3-(2-(1,3-DIOXOLAN-2-YL)ETHOXY)-4-(METHYLSULFONYL)BENZOYL)-
Systematic Name English
LANCOTRIONE [ISO]
Common Name English
2-(2-CHLORO-3-(2-(1,3-DIOXOLAN-2-YL)ETHOXY)-4-(METHYLSULFONYL)BENZOYL)-1,3-CYCLOHEXANEDIONE
Systematic Name English
Code System Code Type Description
CAS
871037-44-4
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
PRIMARY
CAS
1486617-21-3
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
ALTERNATIVE
PUBCHEM
11612020
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID401337393
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
PRIMARY
FDA UNII
KMQ9P5LG22
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
PRIMARY
ALANWOOD
lancotrione
Created by admin on Sat Dec 16 18:59:30 GMT 2023 , Edited by admin on Sat Dec 16 18:59:30 GMT 2023
PRIMARY