(16xi,17R,21alpha)-17,21-Dihydroxy-4-[2-hydroxy-3-(1-pyrrolidinyl)propyl]ajmalan-4-ium
[CAS# 47719-73-3]

Identification

• Name: (16xi,17R,21alpha)-17,21-Dihydroxy-4-[2-hydroxy-3-(1-pyrrolidinyl)propyl]ajmalan-4-ium
• Synonyms: (17R,21-α)-17,21-Dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)ajmalanium; Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)-, (17R,21-α)-; BRN 4043544
• Molecular Formula: C₂₇H₄₀N₃O₃
• Molecular Weight: 454.62
• CAS Registry Number: 47719-73-3
• SMILES: OC(C[N+]46[C@H](O)[C@@H](CC)C2C[C@H]6[C@@H]5N(c1ccccc1C35C[C@H]4C2[C@H]3O)C)CN7CCCC7
• InChI: 1S/C27H40N3O3/c1-3-17-18-12-21-24-27(19-8-4-5-9-20(19)28(24)2)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29-10-6-7-11-29/h4-5,8-9,16-18,21-26,31-33H,3,6-7,10-15H2,1-2H3/q+1/t16?,17-,18?,21-,22-,23?,24-,25+,26+,27?,30?/m0/s1
• InChIKey: BSINHRRJSUOBJB-QBDIDOSNSA-N