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Details

Stereochemistry RACEMIC
Molecular Formula C14H17N3O2S.2ClH
Molecular Weight 364.291
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChIKey=OARGPFMFRLLKPF-UHFFFAOYSA-N
InChI=1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula C14H17N3O2S
Molecular Weight 291.369
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:16:58 UTC 2023
Edited
by admin
on Fri Dec 15 16:16:58 UTC 2023
Record UNII
55VT8U9HB1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE DIHYDROCHLORIDE
Systematic Name English
ISOQUINOLINE, 5-((2-METHYL-1-PIPERAZINYL)SULFONYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
H-7
Code English
(±)-1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
73332
Created by admin on Fri Dec 15 16:16:58 UTC 2023 , Edited by admin on Fri Dec 15 16:16:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID10910929
Created by admin on Fri Dec 15 16:16:58 UTC 2023 , Edited by admin on Fri Dec 15 16:16:58 UTC 2023
PRIMARY
FDA UNII
55VT8U9HB1
Created by admin on Fri Dec 15 16:16:58 UTC 2023 , Edited by admin on Fri Dec 15 16:16:58 UTC 2023
PRIMARY
CAS
108930-17-2
Created by admin on Fri Dec 15 16:16:58 UTC 2023 , Edited by admin on Fri Dec 15 16:16:58 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY