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(S) -Verapamil hydrochloride

CAT: 0931-T13879Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13879Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36622-28-3
Target
P-gp, Leukotriene Receptor, Calcium Channel, Apoptosis
Related Pathways
Apoptosis, GPCR/G Protein, Metabolism, Neuroscience, Membrane transporter/Ion channel
Bioactivity
(S) -Verapamil hydrochloride is an inhibitor of leukotriene C4 (LTC4) and calcein transport by MRP1, and leads to the death of potentially resistant tumor cells.
Smiles
Cl.COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Molecular Formula
C27H39ClN2O4
Molecular Weight
491.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Verapamil hydrochloride, (-)-

(S)-verapamil hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of (S)-verapamil and hydrogen chloride. It is an enantiomer of a dexverapamil hydrochloride.

CAS Number36622-28-3
PubChem CID12249889
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
Molecular FormulaC27H39ClN2O4
Molecular Weight491.1
Topological Polar Surface Area64
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity606
SMILES
CC(C)[C@](CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
InChI
InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/t27-;/m0./s1
InChIKey
DOQPXTMNIUCOSY-YCBFMBTMSA-N
Chemical Structure
2D Structure
2D structure of Verapamil hydrochloride, (-)-
CAS: 36622-28-3
CID: 12249889
Formula: C27H39ClN2O4
MW: 491.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass490.2598354
Monoisotopic Mass490.2598354
Topological Polar Surface Area64 Ų
Heavy Atom Count34
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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