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S-(s)-Verapamil-D6

CAT: 0572-TRC-V124993-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V124993-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329611-24-6
Synonyms
(αS)-α-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl-d6)-benzeneacetonitrile Hydrochloride; (S)-Verapamil-d6 Hydrochloride; (-)-Verapamil-d6 Hydrochloride;
Hazard Statement
No Data Available
Smiles
COC1=C(OC)C=CC(CCN(C)CCC[C@@](C(C([2H])([2H])[2H])C([2H])([2H])[2H])(C#N)C2=CC=C(OC)C(OC)=C2)=C1.Cl
Molecular Formula
C27H33D6ClN2O4
Molecular Weight
497.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(S)-(-)-Verapamil-d6 Hydrochloride
CAS Number1329611-24-6
PubChem CID126456044
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(1,1,1,2,3,3-hexadeuteriopropan-2-yl)pentanenitrile;hydrochloride
Molecular FormulaC27H39ClN2O4
Molecular Weight497.1
Topological Polar Surface Area64
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity606
SMILES
[2H]C([2H])C([2H])([C@](CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC)C([2H])([2H])[2H].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/i1D2,2D3,20D;/t20?,27-;
InChIKey
DOQPXTMNIUCOSY-RRYGOWCOSA-N
Chemical Structure
2D Structure
2D structure of (S)-(-)-Verapamil-d6 Hydrochloride
CAS: 1329611-24-6
CID: 126456044
Formula: C27H39ClN2O4
MW: 497.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass496.2974959
Monoisotopic Mass496.2974959
Topological Polar Surface Area64 Ų
Heavy Atom Count34
Formal Charge0
Complexity606
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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