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Details

Stereochemistry RACEMIC
Molecular Formula C17H17ClINO
Molecular Weight 413.68
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CN1CCC2=CC(Cl)=C(O)C=C2C(C1)C3=CC=CC(I)=C3

InChI

InChIKey=DUTJKDUWCSYNLM-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C17H17ClINO
Molecular Weight 413.68
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 14:24:47 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:47 GMT 2023
Record UNII
4KO50R43BQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TISCH, (±)-
Common Name English
(±)-7-CHLOR0-8- HYDROXY-1-(3'-IODOPHENYL)-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE
Systematic Name English
8-CHLORO-2,3,4,5-TETRAHYDRO-5-(3-IODOPHENYL)-3-METHYL-1H-3-BENZAZEPIN-7-OL
Systematic Name English
1H-3-BENZAZEPIN-7-OL, 8-CHLORO-2,3,4,5-TETRAHYDRO-5-(3-IODOPHENYL)-3-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
125486
Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023
PRIMARY
FDA UNII
4KO50R43BQ
Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID40927267
Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023
PRIMARY
CAS
131567-14-1
Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE