4-(3'-Diethylamino-2'-hydroxypropyl)ajmaline hydrogen tartrate
[CAS# 53862-81-0]

Identification

• Name: 4-(3'-Diethylamino-2'-hydroxypropyl)ajmaline hydrogen tartrate
• Synonyms: Ajmalanium, 4-(3-(Diethylamino)-2-Hydroxypropyl)-17,21-Dihydroxy-, (17R,21Alpha)-, Salt With (2R,3R)-2,3-Dihydroxybutanedioic Acid (1:1), Monohydrate; Ajmalanium, 4-(3-(Diethylamino)-2-Hydroxypropyl)-17,21-Dihydroxy-, (17R,21Alpha)-, Salt With (R-(R*,R*))-2,3-Dihydroxybutanedioic Acid (1:1), Monohydrate; Butanedioic Acid, 2,3-Dihydroxy- (2R,3R)-, Ion(1-), (17R,21Alpha)-4-(3-(Diethylamino)-2-Hydroxypropyl)-17,21-Dihydroxyajmalanium, Monohydrate
• Molecular Formula: C₃₁H₄₇N₃O₉
• Molecular Weight: 605.73
• CAS Registry Number: 53862-81-0
• SMILES: [C@]156[C@@H](N(C2=C1C=CC=C2)C)[C@H]3[N+]4([C@H](C([C@H](C3)[C@@H]([C@H]4O)CC)C5O)C6)CC(O)CN(CC)CC.[C@H](O)([C@@H](O)C([O-])=O)C(O)=O
• InChI: 1S/C27H42N3O3.C4H6O6/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3;5-1(3(7)8)2(6)4(9)10/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t16?,17-,18+,21-,22-,23?,24-,25?,26+,27+,30?;1-,2+/m0./s1
• InChIKey: NXAWWUAMFJNVMF-UGYCPGGCSA-M