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cis-ent-Tadalafil-[d3]

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General Information
Catalog: BLP-013813
Molecular Formula: C22H16D3N3O4
Molecular Weight: 392.42

Chemical Structure

Description	cis-ent-Tadalafil-[d3] is the labelled (6S)-cis-enantiomer of Tadalafil. Tadalafil is a medication used to treat erectile dysfunction, benign prostatic hyperplasia, and pulmonary arterial hypertension.
Synonyms	cis-ent-Tadalafil-d3; Tadalafil EP Impurity C-d3; (6S,12ar)-tadalafil-d3; (2S,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione-d3; (6S,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione-d3; cis-ent-IC-351-d3
IUPAC Name	(2S,8R)-2-(1,3-benzodioxol-5-yl)-6-(trideuteriomethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Related CAS	171596-28-4 (unlabelled)
Canonical SMILES	CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChI	InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21+/m1/s1/i1D3
InChI Key	WOXKDUGGOYFFRN-ATUCCMFHSA-N
Melting Point	>284°C (dec.)
Purity	98%; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C