(8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-Methoxy-5,8,8A,9,10,11,12,12A,13,13A-Decahydro-6H-Isoquinolino[2,1-g][1,6]Naphthyridine Hydrochloride (1:1)
[CAS# 158854-42-3]

Identification

• Name: (8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-Methoxy-5,8,8A,9,10,11,12,12A,13,13A-Decahydro-6H-Isoquinolino[2,1-g][1,6]Naphthyridine Hydrochloride (1:1)
• Synonyms: (8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-dechydro-3-methoxy-12-(ethylsulfonyl)-6H-isoquino[2,1-g][1,6]naphthyridine hydrochloride; [158854-42-3]
• Molecular Formula: C₁₉H₂₉ClN₂O₃S
• Molecular Weight: 400.96
• CAS Registry Number: 158854-42-3
• SMILES: CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC.Cl
• InChI: 1S/C19H28N2O3S.ClH/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21;/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3;1H/t15-,18+,19+;/m1./s1
• InChIKey: DZTZUOBWDBPPJQ-BQBHMPFISA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 25 mM in water