Buscopan
[CAS# 8059-83-4]

Identification

• Name: Buscopan
• Synonyms: Buscopan Compositum; N-Butylscopolammonium Bromide Combined With Sodium Sulpyrine (1:25); Nolotil (Combination)
• Molecular Formula: C₃₄H₄₆BrN₄NaO₈S
• Molecular Weight: 773.71
• CAS Registry Number: 8059-83-4
• SMILES: [N+]2([C@H]4[C@H]1O[C@H]1[C@@H]2CC(OC(=O)[C@H](CO)C3=CC=CC=C3)C4)(CCCC)C.C6=C(N5N(C(=C(N(C[S]([O-])(=O)=O)C)C5=O)C)C)C=CC=C6.[Na+].[Br-]
• InChI: 1S/C21H30NO4.C13H17N3O4S.BrH.Na/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;4-8H,9H2,1-3H3,(H,18,19,20);1H;/q+1;;;+1/p-2/t15?,16-,17-,18+,19-,20+,22?;;;/m1.../s1
• InChIKey: HXVLGCPUEAIPLA-IUVSCEIPSA-L