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4'-trans-Hydroxy Cilostazol 1mg

CAT: 0628-A13482-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A13482-1Size:1 mg
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CAS Number
87153-04-6

Chemical Information

4'-Hydroxycilostazol, trans-
CAS Number87153-04-6
PubChem CID10022985
IUPAC Name6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC20H27N5O3
Molecular Weight385.5
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity514
SMILES
C1CC(CCC1N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4)O
InChI
InChI=1S/C20H27N5O3/c26-16-7-5-15(6-8-16)25-19(22-23-24-25)3-1-2-12-28-17-9-10-18-14(13-17)4-11-20(27)21-18/h9-10,13,15-16,26H,1-8,11-12H2,(H,21,27)
InChIKey
KFXNZXLUGHLDBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxycilostazol, trans-
CAS: 87153-04-6
CID: 10022985
Formula: C20H27N5O3
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass385.21138974
Monoisotopic Mass385.21138974
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity514
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