Heptabarbital

CAS Registry Number®

509-86-4

CAS Name

Heptabarbital

Molecular Formula

C13H18N2O3

Molecular Mass

250.29

Cite this Page

Heptabarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=509-86-4 (retrieved 2024-11-22) (CAS RN: 509-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)

InChIKey

InChIKey=PAZQYDJGLKSCSI-UHFFFAOYSA-N

SMILES

C(C)C1(C(=O)NC(=O)NC1=O)C=2CCCCCC2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(C2=CCCCCC2)CC

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-
  • Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl-
  • 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid
  • 5-Ethyl-5-(1′-cycloheptenyl)-barbituric acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration