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Details

Stereochemistry ACHIRAL
Molecular Formula C26H27NO2S
Molecular Weight 417.563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYLDIBENZO(B,F)THIEPIN-10-YL)PHENOL

SMILES

CCC1=C(C2=CC=C(O)C=C2)C3=CC=C(OCCN(C)C)C=C3SC4=C1C=CC=C4

InChI

InChIKey=KVDSNIZNJKIADY-UHFFFAOYSA-N
InChI=1S/C26H27NO2S/c1-4-21-22-7-5-6-8-24(22)30-25-17-20(29-16-15-27(2)3)13-14-23(25)26(21)18-9-11-19(28)12-10-18/h5-14,17,28H,4,15-16H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
PHENOL, P-(7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYLDIBENZO(B,F)THIEPIN-10-YL)-, COMPD. WITH ETHYL ACETATE (5:1)
Preferred Name English
4-(7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYLDIBENZO(B,F)THIEPIN-10-YL)PHENOL
Systematic Name English
PHENOL, 4-(7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYLDIBENZO(B,F)THIEPIN-10-YL)-
Systematic Name English
4-(5-(2-(DIMETHYLAMINO)ETHOXY)-10-ETHYL-2-THIATRICYCLO(9.4.0.0(3,8))PENTADECA-1(11),3,5,7,9,12,14-HEPTAEN-9-YL)PHENOL
Systematic Name English
Code System Code Type Description
FDA UNII
WJ65BC544Q
Created by admin on Mon Mar 31 22:00:07 GMT 2025 , Edited by admin on Mon Mar 31 22:00:07 GMT 2025
PRIMARY
PUBCHEM
3070112
Created by admin on Mon Mar 31 22:00:07 GMT 2025 , Edited by admin on Mon Mar 31 22:00:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID80235116
Created by admin on Mon Mar 31 22:00:07 GMT 2025 , Edited by admin on Mon Mar 31 22:00:07 GMT 2025
PRIMARY
CAS
85850-74-4
Created by admin on Mon Mar 31 22:00:07 GMT 2025 , Edited by admin on Mon Mar 31 22:00:07 GMT 2025
PRIMARY
NIH
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