Name: (R)-(+)-Celiprolol-[d9] hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-013787

CAS: 1330045-90-3

Molecular Formula: C20H25D9ClN3O4

Molecular Weight: 425.01

Chemical Structure

Description	(R)-(+)-Celiprolol-[d9] hydrochloride is the labelled salt of (R)-(+)-Celiprolol, which is a cardioselective β1-adrenergic blocker. It is an antihypertensive and antianginal.
Synonyms	(R)-(+)-Celiprolol-d9 hydrochloride; N'-[3-Acetyl-4-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethylurea-d9 Hydrochloride; (+)-(R)-Celiprolol-d9 Hydrochloride; (+)-Celiprolol-d9 Hydrochloride; (R)-Celiprolol-d9 Hydrochloride; d-Celiprolol-d9 Hydrochloride
IUPAC Name	3-[3-acetyl-4-[(2R)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
Related CAS	125638-91-7 (unlabelled) 1330274-65-1 (free base) 91878-52-3 (unlabelled free base)
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/t16-;/m1./s1/i4D3,5D3,6D3;
InChI Key	VKJHTUVLJYWAEY-ZRKVMCHMSA-N
Purity	≥98%