Barbexaclone

CAS Registry Number®

4388-82-3
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CAS Name

Barbexaclone

Molecular Formula

C12H12N2O3.C10H21N

Cite this Page

Barbexaclone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4388-82-3 (retrieved 2022-05-29) (CAS RN: 4388-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3/t;9-/m.0/s1

InChIKey

InChIKey=MJCBWPMBFCUHBP-NPULLEENSA-N

SMILES

C(C)C1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C([C@@H](NC)C)C1CCCCC1

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(C=2C=CC=CC2)CC.N(C)C(C)CC1CCCCC1

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, compd. with (αS)-N,α-dimethylcyclohexaneethanamine (1:1)
  • Barbituric acid, 5-ethyl-5-phenyl-, compd. with (-)-N,α-dimethylcyclohexaneethylamine (1:1)
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, compd. with (S)-N,α-dimethylcyclohexaneethanamine (1:1)
  • Cyclohexaneethylamine, N,α-dimethyl-, (-)-, 5-ethyl-5-phenylbarbiturate
  • Cyclohexaneethanamine, N,α-dimethyl-, (S)-, compd. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (1:1)

Deleted or Replaced CAS Registry Numbers

51829-73-3