(17R,21α)-4-[3-(Diethylamino)-2-hydroxypropyl]-17,21-dihydroxyajmalanium

CAS Registry Number®

47719-70-0

CAS Name

(17R,21α)-4-[3-(Diethylamino)-2-hydroxypropyl]-17,21-dihydroxyajmalanium

Molecular Formula

C27H42N3O3

Cite this Page

(17R,21α)-4-[3-(Diethylamino)-2-hydroxypropyl]-17,21-dihydroxyajmalanium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=47719-70-0 (retrieved 2024-12-23) (CAS RN: 47719-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42N3O3/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/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18-,21-,22-,23-,24-,25?,26+,27+,30?/m0/s1

InChIKey

InChIKey=IXLGLCQSNUMEGQ-HYVRMPICSA-N

SMILES

OC1[C@]23[C@]([C@]4([N+]5(CC(CN(CC)CC)O)[C@@](C2)([C@@]1([C@@](C4)([C@H](CC)[C@H]5O)[H])[H])[H])[H])(N(C)C=6C3=CC=CC6)[H]

Canonical SMILES

OC(CN(CC)CC)C[N+]12C(O)C(CC)C3CC2C4N(C=5C=CC=CC5C64CC1C3C6O)C

Other Names for this Substance

  • Ajmalanium, 4-[3-(diethylamino)-2-hydroxypropyl]-17,21-dihydroxy-, (17R,21α)-
  • (17R,21α)-4-[3-(Diethylamino)-2-hydroxypropyl]-17,21-dihydroxyajmalanium
  • Detajmium

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.