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SR33805

CAT: 0931-T8674-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8674-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121345-64-0
Target
Calcium Channel
Related Pathways
Membrane transporter/Ion channel, Metabolism
Purity
0.9915
Bioactivity
SR33805 is a potent antagonist of Ca2+ channel (EC50s of 4.1 nM and 33 nM in depolarized and polarized conditions, respectively)
Smiles
COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(C(C)C)n(C)c3ccccc23)cc1OC
Molecular Formula
C32H40N2O5S
Molecular Weight
564.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SR 33805

highly selective for vascular smooth muscle & devoid of any potent negative inotropic actions; structure given in first source; RN given refers to parent cpd

CAS Number121345-64-0
PubChem CID129426
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propan-1-amine
Molecular FormulaC32H40N2O5S
Molecular Weight564.7
XLogP6.2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity856
SMILES
CC(C)C1=C(C2=CC=CC=C2N1C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C32H40N2O5S/c1-23(2)31-32(27-10-7-8-11-28(27)34(31)4)40(35,36)26-15-13-25(14-16-26)39-21-9-19-33(3)20-18-24-12-17-29(37-5)30(22-24)38-6/h7-8,10-17,22-23H,9,18-21H2,1-6H3
InChIKey
OGLMUIRZIMTHMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR 33805
CAS: 121345-64-0
CID: 129426
Formula: C32H40N2O5S
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass564.26579355
Monoisotopic Mass564.26579355
Topological Polar Surface Area78.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-103313SR33805 (oxalate)

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