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Tiapamil hydrochloride

CAT: 0804-HY-101674-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101674-01Size:1 mg
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Description
Tiapamil hydrochloride is a calcium channel blocker.
CAS Number
57010-32-9
Product Name Alternative
Ro 11-1781
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Tiapamil_(hydrochloride).html
Solubility
10 mM in DMSO
Smiles
CN(CCC1=CC=C(OC)C(OC)=C1)CCCC(S(CCC2)(=O)=O)(C3=CC=C(OC)C(OC)=C3)S2(=O)=O.[H]Cl
Molecular Formula
C26H38ClNO8S2
Molecular Weight
592.16
References & Citations
[1]Eichler HG, et al. Tiapamil, a new calcium antagonist: hemodynamic effects in patients with acute myocardial infarction. Circulation. 1985 Apr;71 (4) :779-86.|[2]Khurmi NS, et al. Tiapamil, a new calcium channel blocking agent for the treatment of effort induced chronic stableangina pectoris.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-, 1,1,3,3-tetraoxide, hydrochloride (1:1)
CAS Number57010-32-9
PubChem CID6917759
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]-N-methylpropan-1-amine;hydrochloride
Molecular FormulaC26H38ClNO8S2
Molecular Weight592.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity880
SMILES
CN(CCCC1(S(=O)(=O)CCCS1(=O)=O)C2=CC(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC.Cl
InChI
InChI=1S/C26H37NO8S2.ClH/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5;/h8-11,18-19H,6-7,12-17H2,1-5H3;1H
InChIKey
FEEDFNKRGAKOFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-, 1,1,3,3-tetraoxide, hydrochloride (1:1)
CAS: 57010-32-9
CID: 6917759
Formula: C26H38ClNO8S2
MW: 592.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass591.1727372
Monoisotopic Mass591.1727372
Topological Polar Surface Area125 Ų
Heavy Atom Count38
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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