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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22ClN3OS
Molecular Weight 387.926
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-[1]Benzothiopyrano[4,3,2-cd]indazole-2-ethanamine, 8-chloro-N,N-diethyl-5-methyl-, N-oxide

SMILES

CC[N+]([O-])(CC)CCN1N=C2C3=C1C=CC(C)=C3SC4=C2C=CC(Cl)=C4

InChI

InChIKey=IHRJJVWYJPRNNR-UHFFFAOYSA-N
InChI=1S/C20H22ClN3OS/c1-4-24(25,5-2)11-10-23-16-9-6-13(3)20-18(16)19(22-23)15-8-7-14(21)12-17(15)26-20/h6-9,12H,4-5,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H22ClN3OS
Molecular Weight 387.926
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:30:24 GMT 2025
Edited
by admin
on Mon Mar 31 22:30:24 GMT 2025
Record UNII
KP6YD5674C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-[1]Benzothiopyrano[4,3,2-cd]indazole-2-ethanamine, 8-chloro-N,N-diethyl-5-methyl-, N-oxide
Systematic Name English
BRN-0575123
Preferred Name English
IA-3 N-oxide
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10202891
Created by admin on Mon Mar 31 22:30:24 GMT 2025 , Edited by admin on Mon Mar 31 22:30:24 GMT 2025
PRIMARY
CAS
54484-92-3
Created by admin on Mon Mar 31 22:30:24 GMT 2025 , Edited by admin on Mon Mar 31 22:30:24 GMT 2025
PRIMARY
PUBCHEM
23620988
Created by admin on Mon Mar 31 22:30:24 GMT 2025 , Edited by admin on Mon Mar 31 22:30:24 GMT 2025
PRIMARY
FDA UNII
KP6YD5674C
Created by admin on Mon Mar 31 22:30:24 GMT 2025 , Edited by admin on Mon Mar 31 22:30:24 GMT 2025
PRIMARY