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

Details

Stereochemistry RACEMIC
Molecular Formula C25H24O4S
Molecular Weight 420.521
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((10-ETHYL-11-(4-HYDROXYPHENYL)DIBENZO(B,F)THIEPIN-3-YL)OXY)-1,2-PROPANEDIOL

SMILES

CCC1=C(C2=CC=C(O)C=C2)C3=C(SC4=CC=CC=C14)C=C(OCC(O)CO)C=C3

InChI

InChIKey=ALAWFOUNZCSZPS-UHFFFAOYSA-N
InChI=1S/C25H24O4S/c1-2-20-21-5-3-4-6-23(21)30-24-13-19(29-15-18(28)14-26)11-12-22(24)25(20)16-7-9-17(27)10-8-16/h3-13,18,26-28H,2,14-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C25H24O4S
Molecular Weight 420.521
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
VPE0K6LKXQ
Record Status Validated (UNII)
Record Version