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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N3O2S.ClH
Molecular Weight 301.792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-(METHYLAMINO)ETHYL)ISOQUINOLINE-5-SULFONAMIDE HYDROCHLORIDE

SMILES

Cl.CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChIKey=WGYFLDSVYRDHDI-UHFFFAOYSA-N
InChI=1S/C12H15N3O2S.ClH/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12;/h2-6,9,13,15H,7-8H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H15N3O2S
Molecular Weight 265.331
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
36.0 µM [IC50]
100.0 µM [IC50]
15.0 µM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:26:39 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:39 GMT 2023
Record UNII
YPR5E3J77X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-(METHYLAMINO)ETHYL)ISOQUINOLINE-5-SULFONAMIDE HYDROCHLORIDE
Systematic Name English
5-ISOQUINOLINESULFONAMIDE, N-(2-(METHYLAMINO)ETHYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9904471
Created by admin on Sat Dec 16 18:26:39 GMT 2023 , Edited by admin on Sat Dec 16 18:26:39 GMT 2023
PRIMARY
CAS
116970-62-8
Created by admin on Sat Dec 16 18:26:39 GMT 2023 , Edited by admin on Sat Dec 16 18:26:39 GMT 2023
PRIMARY
FDA UNII
YPR5E3J77X
Created by admin on Sat Dec 16 18:26:39 GMT 2023 , Edited by admin on Sat Dec 16 18:26:39 GMT 2023
PRIMARY
Related Record Type Details
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