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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H17ClINO
Molecular Weight 413.68
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TISCH, (R)-

SMILES

CN1CCC2=CC(Cl)=C(O)C=C2[C@H](C1)C3=CC=CC(I)=C3

InChI

InChIKey=DUTJKDUWCSYNLM-OAHLLOKOSA-N
InChI=1S/C17H17ClINO/c1-20-6-5-12-8-16(18)17(21)9-14(12)15(10-20)11-3-2-4-13(19)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H17ClINO
Molecular Weight 413.68
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:22:06 GMT 2023
Edited
by admin
on Sat Dec 16 14:22:06 GMT 2023
Record UNII
CW3T15R4NS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TISCH, (R)-
Code English
TISCH, R-(+)-
Code English
1H-3-BENZAZEPIN-7-OL, 8-CHLORO-2,3,4,5-TETRAHYDRO-5-(3-IODOPHENYL)-3-METHYL-, (R)-
Systematic Name English
Code System Code Type Description
CAS
131615-52-6
Created by admin on Sat Dec 16 14:22:07 GMT 2023 , Edited by admin on Sat Dec 16 14:22:07 GMT 2023
PRIMARY
PUBCHEM
14880698
Created by admin on Sat Dec 16 14:22:07 GMT 2023 , Edited by admin on Sat Dec 16 14:22:07 GMT 2023
PRIMARY
FDA UNII
CW3T15R4NS
Created by admin on Sat Dec 16 14:22:07 GMT 2023 , Edited by admin on Sat Dec 16 14:22:07 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
LABELED -> NON-LABELED
RACEMATE -> ENANTIOMER