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Substance Name: Ajmaline phenylethylbarbiturate
RN: 21290-16-4
InChIKey: ADRLAPQLTWAKBF-IELKEXMGSA-N

Molecular Formula

  • C20-H26-N2-O2.x-C12-H12-N2-O3

Molecular Weight

  • 558.6752
 
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Names and Synonyms

Results Name

  • Ajmaline phenylethylbarbiturate

Synonyms

  • Ajmaline ethylphenylbarbiturate
  • Barbituric acid, 5-ethyl-5-phenyl-, compd. with ajmaline
  • EINECS 244-316-9

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 21290-16-4

System Generated Number

  • 0021290164

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2.x-C12-H12-N2-O3

Molecular Formula Fragments

  • C12-H12-N2-O3
  • C20-H26-N2-O2
  • COMPONENT

Structure Descriptors

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?;/m1./s1

InChIKey

ADRLAPQLTWAKBF-IELKEXMGSA-N

Smiles

CC[C@@H]1[C@@H]2CC3C4C5(C[C@@H](C2C5O)N3[C@H]1O)c6ccccc6N4C.CCC1(C(=O)NC(=O)NC1=O)c2ccccc2