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Chemical structure of Celiprolol-d9 hydrochloride

GC70485

Celiprolol-d9 hydrochloride

Also known as 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

Celiprolol-d9 (hydrochloride) is the deuterium labeled Celiprolol hydrochloride

ChemicalCAS1215535-20-8MW425.01FormulaC20H25D9ClN3O4
CAS number
1215535-20-8
Molecular weight
425.01
Formula
C20H25D9ClN3O4
InChIKey
VKJHTUVLJYWAEY-SBYXYGIXSA-N
Catalogue number
GC70485
Brand
GLPBIO
Computed properties PubChem CID 57369267 · TPSA 90.9 Ų · H-bond donors 4 · H-bond acceptors 5
TPSA
90.9 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
28

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

Computed descriptors from PubChem (CID 57369267), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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