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3,4-Dehydro Cilostazol

CAT: 0572-TRC-D229500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73963-62-9
Synonyms
6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-2(1H)-quinolinone; 3,4-Dehydrocilostazol; OPC 13015; Cilostazol Related Compound B
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
O=C1Nc2ccc(OCCCCc3nnnn3C4CCCCC4)cc2C=C1
Molecular Formula
C20 H25 N5 O2
Molecular Weight
367.44
InChI
InChI=1S/C20H25N5O2/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/h9-12,14,16H,1-8,13H2,(H,21,26)
Additionnal Information
IUPAC name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,4-Dehydrocilostazol

3,4-Dehydrocilostazol is a member of quinolines.

CAS Number73963-62-9
PubChem CID10021885
IUPAC Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
Molecular FormulaC20H25N5O2
Molecular Weight367.4
XLogP3.4
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity523
SMILES
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)C=C4
InChI
InChI=1S/C20H25N5O2/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/h9-12,14,16H,1-8,13H2,(H,21,26)
InChIKey
GHALECSGOJQOHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dehydrocilostazol
CAS: 73963-62-9
CID: 10021885
Formula: C20H25N5O2
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass367.20082506
Monoisotopic Mass367.20082506
Topological Polar Surface Area81.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity523
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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