structure of Proxibarbal

Proxibarbal

CAS No.: 2537-29-3
M. Wt: 226.22900
M. Fa: C10H14N2O4
InChI Key: VNLMRPAWAMPLNZ-UHFFFAOYSA-N

Names and Identifiers of Proxibarbal

CAS Number

2537-29-3

EC Number

219-803-4

IUPAC Name

5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

InChI

InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)

InChIKey

VNLMRPAWAMPLNZ-UHFFFAOYSA-N

Canonical SMILES

CC(CC1(C(=O)NC(=O)NC1=O)CC=C)O

UNII

F97OMS297F

Physical and chemical properties of Proxibarbal

Acidity coefficient

7.74±0.10(Predicted)

Density

1.206g/cm3

Exact Mass

226.09500

Index of Refraction

1.493

LogP

0.23760

Melting Point

157-158°; mp 166.5-168.5° from acetone + chloroform (Smissman)

Molecular Formula

C10H14N2O4

Molecular Weight

226.22900

PSA

102.48000

Interaction Studies of Proxibarbal

Interaction studies indicate that Proxibarbal can enhance the effects of other central nervous system depressants, including alcohol and benzyl alcohol. This raises concerns about potential synergistic effects that could lead to increased sedation or other adverse reactions when used concurrently with these substances.

Retrosynthesis analysis of Proxibarbal

  • Route#1

    Cas:52-43-7
    Cas:2537-29-3

  • Route#2

    Cas:3258-51-3
    Cas:2537-29-3