6-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxy-Propoxy]-8-Thiabicyclo[3.3.0]Octa-6,9-Diene-7-Carboxylic Acid Hydrochloride
[CAS# 85462-88-0]

Identification

• Name: 6-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxy-Propoxy]-8-Thiabicyclo[3.3.0]Octa-6,9-Diene-7-Carboxylic Acid Hydrochloride
• Synonyms: 3-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxy-Propoxy]-5,6-Dihydro-4H-Cyclopenta[D]Thiophene-2-Carboxylic Acid Hydrochloride; 3-[3-(Homoveratrylamino)-2-Hydroxy-Propoxy]-5,6-Dihydro-4H-Cyclopenta[D]Thiophene-2-Carboxylic Acid Hydrochloride; 4H-Cyclopenta(B)Thiophene-2-Carboxylic Acid, 5,6-Dihydro-3-(3-((2-(3,4-Dimethoxyphenyl)Ethyl)Amino)-2-Hydroxypropoxy)-, Hydrochloride
• Molecular Formula: C₂₁H₂₈ClNO₆S
• Molecular Weight: 457.97
• CAS Registry Number: 85462-88-0
• SMILES: [H+].C3=C(CCNCC(O)COC1=C(SC2=C1CCC2)C(O)=O)C=CC(=C3OC)OC.[Cl-]
• InChI: 1S/C21H27NO6S.ClH/c1-26-16-7-6-13(10-17(16)27-2)8-9-22-11-14(23)12-28-19-15-4-3-5-18(15)29-20(19)21(24)25;/h6-7,10,14,22-23H,3-5,8-9,11-12H2,1-2H3,(H,24,25);1H
• InChIKey: BHTQOAJCXATTMY-UHFFFAOYSA-N

Properties

• Boiling point: 665.9°C at 760 mmHg (Cal.)
• Flash point: 356.5°C (Cal.)