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Cilostazol-d11

CAT: 0024-sc-217897Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-217897Size:1 mg
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CAS Number
1073608-02-2

Chemical Information

Cilostazol-d11
CAS Number1073608-02-2
PubChem CID45038681
IUPAC Name6-[4-[1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC20H27N5O2
Molecular Weight380.5
XLogP3.1
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)/i1D2,2D2,3D2,6D2,7D2,16D
InChIKey
RRGUKTPIGVIEKM-SAGHCWGKSA-N
Chemical Structure
2D Structure
2D structure of Cilostazol-d11
CAS: 1073608-02-2
CID: 45038681
Formula: C20H27N5O2
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass380.28551933
Monoisotopic Mass380.28551933
Topological Polar Surface Area81.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
Isotope Atom Count11
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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Alternative Products

CatalogName
TRC-C441502-1MGCilostazol-d11
AR-C07602-01Cilostazol Impurity 9-d11
AR-C07585-01Cilostazol USP Related Compound B-d11 (Cilostazol Metabolite (OPC-13015) -d11)
HY-135910S-013,4-Dehydro Cilostazol-d11
MBS385963-01Cilostazol

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