Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

For Research Use Only.
Category
Impurities
Cat.No.
NP3312
CAS
171752-68-4
Product Name
Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Structure

Product Details

Description
Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is an impurity of Tadalafil, which is a phosphodiesterase type 5 (PDE5) inhibitor, primarily used to treat erectile dysfunction (ED) and symptoms of benign prostatic hyperplasia (BPH).
Synonyms
Tadalafil intermediate; 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, hydrochloride (1:1), (1R,3R)-; 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, monohydrochloride, (1R,3R)-; 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, monohydrochloride, (1R-cis)-; Methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride; (1R,3R)-1,2,3,4-Tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-Pyrido[3,4-B]indole-3-carboxylic acid methyl ester HCl; (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
IUPAC Name
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
Molecular Weight
386.83
Molecular Formula
C20H19ClN2O4
Canonical SMILES
Cl.O=C(OC)C1NC(C2=CC=C3OCOC3=C2)C=4NC=5C=CC=CC5C4C1
InChI
InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1
InChIKey
ROYJOKDTCKPQHK-KQKCUOLZSA-N
Melting Point
239-241 °C
Purity
98%
Solubility
Soluble in DMSO (Slightly, Sonicated), Methanol (Slightly)
Appearance
Pale white to light yellow solid
Storage
Store at 2-8 °C, under inert gas (nitrogen or Argon)
Form
Powder
Packaging
100 mg
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