(S) -Celiprolol

CAT: 1596-AR-C06948-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06948-01Size:10 Units

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CAS Number

95586-73-5

Molecular Formula

C20H33N3O4

Molecular Weight

379.50

API Name

Celiprolol

Chemical Information

(S)-Celiprolol

CAS Number	95586-73-5
PubChem CID	11406333
IUPAC Name	3-[3-acetyl-4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Molecular Formula	C20H33N3O4
Molecular Weight	379.5
XLogP	1.9
Topological Polar Surface Area	90.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	27
Formal Charge	0
Complexity	474

SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC[C@H](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)/t16-/m0/s1

InChIKey

JOATXPAWOHTVSZ-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 95586-73-5

CID: 11406333

Formula: C20H33N3O4

MW: 379.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	379.5
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	379.24710654
Monoisotopic Mass	379.24710654
Topological Polar Surface Area	90.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	474
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
AR-C02225-01	Celiprolol
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AR-C06950-01	N-Nitroso Celiprolol
AR-C02227-01	Celiprolol EP Impurity B
AR-P02421-01	(S, S, S, S) -Benzylposaconazole
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AR-P31415-01	S, S, S-Triethyltetrathiophosphate
AR-I04134-01	(S, S, S, R) -Isosorbide

Alternative Products

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

(S) -Celiprolol

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