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Avanafil-[13C5,15N,d2]

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General Information
Catalog: BLP-003364
Molecular Formula: C18[13C]5H24DClN6[15N]O3
Molecular Weight: 491.92

Chemical Structure

Description	Avanafil-[13C5,15N,d2] is a labelled Avanafil, a phosphodiesterase (PDE5) inhibitor, used to treat erectile dysfunction.
IUPAC Name	4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-[dideuterio(hydroxy)(1-13C)methyl](2,3,4,5-13C4,1-15N)azolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
Related CAS	330784-47-9 (unlabelled)
Canonical SMILES	COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl
InChI	InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1/i2+1,4+1,9+1,14+1D2,16+1,31+1
InChI Key	WEAJZXNPAWBCOA-RADDBRLTSA-N
Purity	> 98%