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Celiprolol

CAT: 1596-AR-C02225-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02225-01Size:10 Units
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CAS Number
56980-93-9
Synonyms
3- (3-acetyl-4- (3- (tert-butylamino) -2-hydroxypropoxy) phenyl) -1,1-diethylurea; N'-[3-Acetyl-4-[3-[ (1,1-dimethylethyl) amino]-2-hydroxypropoxy]phenyl]-N, N-diethyl-urea; N'-[3-Acetyl-4-[3-[ (1,1-dimethylethyl) amino]-2-hydroxypropoxy]phenyl]-N, N-diethylurea; (R, S) -Celiprolol; (±) -Celiprolol; DL-Celiprolol; Racemic Celiprolol; Selectol; dl-Celiprolol
Molecular Formula
C20H33N3O4
Molecular Weight
379.5
API Name
Celiprolol

Chemical Information

Celiprolol

3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea is an aromatic ketone.

CAS Number56980-93-9
PubChem CID2663
IUPAC Name3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Molecular FormulaC20H33N3O4
Molecular Weight379.5
XLogP1.9
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity474
SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C
InChI
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKey
JOATXPAWOHTVSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Celiprolol
CAS: 56980-93-9
CID: 2663
Formula: C20H33N3O4
MW: 379.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass379.24710654
Monoisotopic Mass379.24710654
Topological Polar Surface Area90.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119873Celiprolol
C4521-25Celiprolol (hydrochloride)
412551Celiprolol hydrochloride
MBS387956-01Celiprolol HCl
444168-01Celiprolol discontinued
268056-01S- (-) -Celiprolol hydrochloride
TRC-C254490-1MG(R)-(+)-Celiprolol Hydrochloride
A13623-50Celiprolol HCl 50mg

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