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

Details

Stereochemistry RACEMIC
Molecular Formula C26H26O3S
Molecular Weight 418.548
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((11-ETHYL-12-PHENYL-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-1,2-PROPANEDIOL

SMILES

CCC1=C(C2=CC=CC=C2)C3=C(SCC4=C1C=CC=C4)C=C(OCC(O)CO)C=C3

InChI

InChIKey=AVLURXTUGTUGMU-ROMGYVFFSA-N
InChI=1S/C26H26O3S/c1-2-22-23-11-7-6-10-19(23)17-30-25-14-21(29-16-20(28)15-27)12-13-24(25)26(22)18-8-4-3-5-9-18/h3-14,20,27-28H,2,15-17H2,1H3/b26-22-

HIDE SMILES / InChI

Molecular Formula C26H26O3S
Molecular Weight 418.548
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:51 GMT 2023
Record UNII
005XSV4O0H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((11-ETHYL-12-PHENYL-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-1,2-PROPANEDIOL
Systematic Name English
1,2-PROPANEDIOL, 3-((11-ETHYL-12-PHENYL-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
005XSV4O0H
Created by admin on Sat Dec 16 08:09:51 GMT 2023 , Edited by admin on Sat Dec 16 08:09:51 GMT 2023
PRIMARY
PUBCHEM
3070123
Created by admin on Sat Dec 16 08:09:51 GMT 2023 , Edited by admin on Sat Dec 16 08:09:51 GMT 2023
PRIMARY