(16xi,17R,21alpha)-17,21-Dihydroxy-4-[2-hydroxy-3-(1-piperidinyl)propyl]ajmalan-4-ium
[CAS# 47739-41-3]

Identification

• Name: (16xi,17R,21alpha)-17,21-Dihydroxy-4-[2-hydroxy-3-(1-piperidinyl)propyl]ajmalan-4-ium
• Synonyms: (17R,21-α)-17,21-Dihydroxy-4-(2-hydroxy-3-piperidinopropyl)ajmalanium; Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-α)-; BRN 4044985
• Molecular Formula: C₂₈H₄₂N₃O₃
• Molecular Weight: 468.65
• CAS Registry Number: 47739-41-3
• SMILES: OC(CN1CCCCC1)C[N+]57[C@H](O)[C@@H](CC)C3C[C@H]7[C@@H]6N(c2ccccc2C46C[C@H]5C3[C@H]4O)C
• InChI: 1S/C28H42N3O3/c1-3-18-19-13-22-25-28(20-9-5-6-10-21(20)29(25)2)14-23(24(19)26(28)33)31(22,27(18)34)16-17(32)15-30-11-7-4-8-12-30/h5-6,9-10,17-19,22-27,32-34H,3-4,7-8,11-16H2,1-2H3/q+1/t17?,18-,19?,22-,23-,24?,25-,26+,27+,28?,31?/m0/s1
• InChIKey: PBXKNIPBIUGHOK-CLSINGCFSA-N