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H-7 dihydrochloride

CAT: 0926-IEA93017-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-IEA93017-01Size:25 mg
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CAS Number
108930-17-2
MDL Number
MFCD00036961
Smiles
CC1CNCCN1S (=O) (=O) C2=CC=CC3=C2C=CN=C3.Cl.Cl
Molecular Formula
C14H17N3O2S·2HCl
Molecular Weight
364.29 g/mol
Controlled
No

Chemical Information

1-(5-Isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride

1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride is a hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It contains a 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+).

CAS Number108930-17-2
PubChem CID73332
IUPAC Name5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.3
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity434
SMILES
CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
InChI
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
InChIKey
OARGPFMFRLLKPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
CAS: 108930-17-2
CID: 73332
Formula: C14H19Cl2N3O2S
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass363.0575034
Monoisotopic Mass363.0575034
Topological Polar Surface Area70.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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