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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO2S2
Molecular Weight 375.548
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of F-15845 FREE BASE

SMILES

COC1=CC=CC=C1SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2

InChI

InChIKey=HZQHAAFWVRDHMZ-JKSUJKDBSA-N
InChI=1S/C20H25NO2S2/c1-15(13-24-19-9-5-3-7-17(19)22-2)11-21-16-12-23-18-8-4-6-10-20(18)25-14-16/h3-10,15-16,21H,11-14H2,1-2H3/t15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO2S2
Molecular Weight 375.548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:49 GMT 2023
Record UNII
937TSH5BGH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
F-15845 FREE BASE
Common Name English
3-(R)-((3-((2-METHOXYPHENYL)THIO)-2-(S)-METHYLPROPYL)AMINO)-3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN
Systematic Name English
2H-1,5-BENZOXATHIEPIN-3-AMINE, 3,4-DIHYDRO-N-((2S)-3-((2-METHOXYPHENYL)THIO)-2-METHYLPROPYL)-, (3R)-
Systematic Name English
(3R)-N-((2S)-3-((2-METHOXYPHENYL)SULFANYL)-2-METHYLPROPYL)-3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
F15845
Created by admin on Sat Dec 16 10:01:49 GMT 2023 , Edited by admin on Sat Dec 16 10:01:49 GMT 2023
PRIMARY
CAS
470454-73-0
Created by admin on Sat Dec 16 10:01:49 GMT 2023 , Edited by admin on Sat Dec 16 10:01:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID001116393
Created by admin on Sat Dec 16 10:01:49 GMT 2023 , Edited by admin on Sat Dec 16 10:01:49 GMT 2023
PRIMARY
PUBCHEM
11566989
Created by admin on Sat Dec 16 10:01:49 GMT 2023 , Edited by admin on Sat Dec 16 10:01:49 GMT 2023
PRIMARY
FDA UNII
937TSH5BGH
Created by admin on Sat Dec 16 10:01:49 GMT 2023 , Edited by admin on Sat Dec 16 10:01:49 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY