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Celiprolol-[d9] Hydrochloride

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General Information
Catalog: BLP-013948
CAS: 1215535-20-8
Molecular Formula: C20H25D9ClN3O4
Molecular Weight: 425.01

Chemical Structure

Description	Celiprolol-[d9] Hydrochloride is a labelled form of Celiprolol Hydrochloride. Celiprolol hydrochloride is a cardioselective β1-adrenergic blocker with potential antianginal and antihypertensive properties.
Synonyms	N'-[3-Acetyl-4-[3-[(1,1-dimethylethyl-d9)amino]-2-hydroxypropoxy]phenyl]-N,N-diethylurea Hydrochloride; Celectol-d9; Corliprol-d9; NSC 324509-d9; REV 5320A-d9; ST 1396-d9
IUPAC Name	3-[3-acetyl-4-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
Related CAS	57470-78-7 (unlabelled) 1215898-38-6 (free base)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=C(C=C(C=C1)NC(=O)N(CC)CC)C(=O)C)O.Cl
Canonical SMILES	CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.Cl
InChI	InChI=1S/C20H33N3O4.ClH/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);1H/i4D3,5D3,6D3;
InChI Key	VKJHTUVLJYWAEY-SBYXYGIXSA-N
Melting Point	188-191°C
Purity	95%
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	Off-White Solid
Application	Labelled Celiprolol. Cardioselective β1-adrenergic blocker. Antihypertensive, antianginal.