(17R,21alpha)-17,21-Dihydroxy-4-(2-propenyl)ajmalanium bromide
[CAS# 107870-71-3]

Identification

• Name: (17R,21alpha)-17,21-Dihydroxy-4-(2-propenyl)ajmalanium bromide
• Synonyms: (17R,21-α)-17,21-Dihydroxy-4-(2-propenyl)ajmalanium bromide; Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-α)-; Ajmalinium, N(sup 4)-allyl-, bromide
• Molecular Formula: C₂₃H₃₁BrN₂O₂
• Molecular Weight: 447.41
• CAS Registry Number: 107870-71-3
• SMILES: [Br-].O[C@@H]5[C@H](C3C6[C@@H]4CC2(c1ccccc1N(C)[C@H]2[C@H](C3)[N+]45C\C=C)[C@@H]6O)CC
• InChI: 1S/C23H31N2O2.BrH/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;/h4,6-9,13-14,17-22,26-27H,1,5,10-12H2,2-3H3;1H/q+1;/p-1/t13-,14?,17-,18-,19?,20-,21+,22+,23?,25?;/m0./s1
• InChIKey: FVJYANBRYOGVGH-UTZXWTGVSA-M

Properties

• Refractive index: (Cal.)