(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

Base Information

• Chemical Name: (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
• CAS No.: 171752-68-4
• Molecular Formula: C20H19ClN2O4
• Molecular Weight: 386.82886
• European Community (EC) Number: 895-176-6
• UNII: 53F8A8T7V8
• DSSTox Substance ID: DTXSID80465279
• Mol file: 171752-68-4.mol

Synonyms:171752-68-4;(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;(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE;methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride;(1R,3R)-METHYL 1-(BENZO[D][1,3]DIOXOL-5-YL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE HCL;methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride;Intermediates of Tadalafil:(1R,3R)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, cis isomer, hydrochloride;MFCD09842269;ROYJOKDTCKPQHK-KQKCUOLZSA-N;C20H19ClN2O4;SCHEMBL1784776;AMY8951;DTXSID80465279;53F8A8T7V8;AKOS015888840;AC-20139;DS-16361;CS-0083140;(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)-9H-Pyrido[3,4-b]indole-3-carboxylic acid,1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl),methyl ester,hydrochloride;(1R,3R)-METHYL1-(BENZO[D][1,3]DIOXOL-5-YL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATEHYDROCHLORIDE;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)-;methyl (1R,3R)-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride;methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride;Methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate--hydrogen chloride (1/1);Methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Chemical Property of (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

Chemical Property:

• Vapor Pressure: 1.6E-12mmHg at 25°C
• Melting Point: 239-241 °C
• Boiling Point: 552.2°C at 760 mmHg
• Flash Point: 287.8°C
• PSA: 72.58000
• LogP: 3.80410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 386.1033348
• Heavy Atom Count: 27
• Complexity: 544

Purity/Quality:

98%+ ^*data from raw suppliers

(1R,3R)-Methyl1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylatehydrochloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC2=C(C(N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25.Cl
• Isomeric SMILES: COC(=O)[C@H]1CC2=C([C@H](N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25.Cl