Structure

Sodium Oleate

CAS
143-19-1
Catalog Number
ACM143191
Category
Soaps of Fatty Acids
Molecular Weight
304.44
Molecular Formula
232-235 °C(lit.)

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Specification

Description
Bretazenil (Ro16-6028) is an imidazopyrrolobenzodiazepine anxiolytic drug that is derived from the benzodiazepine family and was invented in 1988. It is most closely related in structure to the benzodiazepine antagonist flumazenil, although its effects are somewhat different. It is classed as a high-potency benzodiazepine due to its high-affinity binding to benzodiazepine binding sites where it acts as a partial agonist. Its profile as a partial agonist and preclinical trial data suggests that it may have a reduced adverse effect profile. In particular, bretazenil has been proposed to cause a less strong development of tolerance and withdrawal syndrome. Bretazenil differs from traditional 1,4-benzodiazepines by being a partial agonist and because it binds to α1, α2, α3, α4, α5, and α6 subunit-containing GABAA receptor benzodiazepine receptor complexes. 1,4-benzodiazepines bind only to α1, α2, α3 and α5 GABAA benzodiazepine receptor complexes.
Synonyms
Osteum
IUPAC Name
Sodium;(Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
InChI Key
BCKXLBQYZLBQEK-KVVVOXFISA-M
Boiling Point
359.999 °C/760 mmHg
Melting Point
232-235 °C(lit.)
Flash Point
270.099 °C
Density
0.9 g/cm³
Appearance
White to slightly yellow powder
Storage
-20 °C
CNo.Chain
C18:1
Complexity
239
EC Number
205-591-0
Exact Mass
304.23782457
HS Code
2916150000
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+]
LogP
4.77380
MDL Number
MFCD00004438
Monoisotopic Mass
304.23782457
Physical State
Solid
PSA
4.13
Sodium Derivative Of
Oleate
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Conditions
-20ºC
Topological Polar Surface Area
40.1 Ų
WGK Germany
1
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