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Para-Hydroxy Urapidil

CAT: 1596-AR-U01082-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01082-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88733-12-4
Synonyms
6- ((3- (4- (4-hydroxy-2-methoxyphenyl) piperazin-1-yl) propyl) amino) -1,3-dimethylpyrimidine-2,4 (1H,3H) -dione;6-[[3-[4- (4-Hydroxy-2-methoxyphenyl) -1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4 (1H,3H) -pyrimidinedione; 4-Hydroxyurapidil
Molecular Formula
C20H29N5O4
Molecular Weight
403.48
API Name
Urapidil

Chemical Information

4-Hydroxyurapidil

urapidil metabolite

CAS Number88733-12-4
PubChem CID614447
IUPAC Name6-[3-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
Molecular FormulaC20H29N5O4
Molecular Weight403.5
XLogP1.2
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity620
SMILES
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=C(C=C(C=C3)O)OC
InChI
InChI=1S/C20H29N5O4/c1-22-18(14-19(27)23(2)20(22)28)21-7-4-8-24-9-11-25(12-10-24)16-6-5-15(26)13-17(16)29-3/h5-6,13-14,21,26H,4,7-12H2,1-3H3
InChIKey
WQYQEWKEJSPSCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyurapidil
CAS: 88733-12-4
CID: 614447
Formula: C20H29N5O4
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass403.22195442
Monoisotopic Mass403.22195442
Topological Polar Surface Area88.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity620
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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