Ajmalan-17,21-diol, (17R,21α)-, compd. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS Registry Number®

21290-16-4

CAS Name

Ajmalan-17,21-diol, (17R,21α)-, compd. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula

C20H26N2O2.xC12H12N2O3

Cite this Page

Ajmalan-17,21-diol, (17R,21α)-, compd. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21290-16-4 (retrieved 2025-08-04) (CAS RN: 21290-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O2.C12H12N2O3/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t10-,11?,14-,15-,16?,17-,18+,19+,20?;/m0./s1

InChIKey

InChIKey=ADRLAPQLTWAKBF-MNGKQSICSA-N

SMILES

O[C@H]1C23[C@]([C@]4(N5[C@@](C2)(C1C(C4)[C@H](CC)[C@H]5O)[H])[H])(N(C)C=6C3=CC=CC6)[H].C(C)C1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(C=2C=CC=CC2)CC.OC1N2C3CC(C1CC)C4C(O)C5(C=6C=CC=CC6N(C)C35)CC24

Other Names for this Substance

  • Ajmalan-17,21-diol, (17R,21α)-, compd. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Ajmaline, compd. with 5-ethyl-5-phenylbarbituric acid
  • Barbituric acid, 5-ethyl-5-phenyl-, compd. with ajmaline
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, compd. with (17R,21α)-ajmalan-17,21-diol
  • Ajmaline phenylethylbarbiturate

CAS INSIGHTSTM
This is the vasculature of an actual heart (porcine heart, identical to human heart).