EA-2098

EA-2098

Names
Preferred IUPAC name N,N,N-Trimethyl-3-{[ethoxy(methylphosphonoyl)]oxy}-5-{3-[3-(trimethylazaniumyl)phenoxy]propoxy}anilinium bis(tetraphenylboranuide)
Identifiers
3D model (JSmol)	Interactive image
InChI InChI=1S/2C24H20B.C24H39N2O5P/c21-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-9-30-32(8,27)31-24-18-21(26(5,6)7)17-23(19-24)29-15-11-14-28-22-13-10-12-20(16-22)25(2,3)4/h21-20H;10,12-13,16-19H,9,11,14-15H2,1-8H3/q2*-1;+2 Key: YXQOCWJQISOFRQ-UHFFFAOYSA-N
SMILES [B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.CCOP(=O)(C)Oc5cc([N+](C)(C)C)cc(c5)OCCCOc6cccc(c6)[N+](C)(C)C
Properties
Chemical formula	C₇₂H₇₉B₂N₂O₅P
Molar mass	1105.03 g·mol⁻¹
Appearance	Solid
Melting point	108–111 °C (226–232 °F; 381–384 K)
Solubility in water	Insoluble
Solubility	Soluble in acetone
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Extremely toxic
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	20 μg/kg (Rats, IV) 6.7 μg/kg (Rabbits, IV)
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). Infobox references

Names

N,N,N-Trimethyl-3-{[ethoxy(methylphosphonoyl)]oxy}-5-{3-[3-(trimethylazaniumyl)phenoxy]propoxy}anilinium bis(tetraphenylboranuide)

Identifiers

3D model (JSmol)

InChI=1S/2C24H20B.C24H39N2O5P/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-9-30-32(8,27)31-24-18-21(26(5,6)7)17-23(19-24)29-15-11-14-28-22-13-10-12-20(16-22)25(2,3)4/h2*1-20H;10,12-13,16-19H,9,11,14-15H2,1-8H3/q2*-1;+2
Key: YXQOCWJQISOFRQ-UHFFFAOYSA-N

[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.CCOP(=O)(C)Oc5cc([N+](C)(C)C)cc(c5)OCCCOc6cccc(c6)[N+](C)(C)C

Properties

C₇₂H₇₉B₂N₂O₅P

1105.03 g·mol⁻¹

Appearance

Solid

108–111 °C (226–232 °F; 381–384 K)

Insoluble

Soluble in acetone

Hazards

Occupational safety and health (OHS/OSH):

Main hazards

Extremely toxic

Lethal dose or concentration (LD, LC):

20 μg/kg (Rats, IV)
6.7 μg/kg (Rabbits, IV)

Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa).

v t e Neurotoxins
Animal toxins	Batrachotoxin Bestoxin Birtoxin Bungarotoxin Charybdotoxin Conotoxin Fasciculin Huwentoxin Poneratoxin Saxitoxin Tetrodotoxin Vanillotoxin Spooky toxin (SsTx) Epibatidine Zetekitoxin AB Dendrotoxin
Bacterial	Botulinum toxin Tetanospasmin
Cyanotoxins	Anatoxin-a Guanitoxin BMAA Saxitoxin
Plant toxins	Aconitine Bicuculline Penitrem A Picrotoxin Strychnine Tutin Rotenone Ginkgotoxin Cicutoxin Oenanthotoxin Thujone Volkensin Veratridine
Mycotoxins	Ibotenic acid Muscarine Muscimol
Pesticides	Fenpropathrin Tetramethylenedisulfotetramine Bromethalin Crimidine Methamidophos Endosulfan Fipronil Phenylsilatrane Chlorophenylsilatrane Sulfuryl fluoride Mipafox Schradan Dimefox
Nerve agents	Cyclosarin EA-3148 Novichok agent Sarin Soman Tabun VE VG VM VP VR VX GV EA-3990 EA-4056 T-1123 Octamethylene-bis(5-dimethylcarbamoxyisoquinolinium bromide) Fluorotabun Chinese VX EA-2192
Bicyclic phosphates	TBPS TBPO IPTBO
Cholinergic neurotoxins	Acetylcholine mustard Catecholine Choline mustard Ethylcholine mustard Hemicholinium mustard
Psychoactive drugs	Alcohol Nitrous oxide
Other	Dimethylcadmium Dimethylmercury Toxopyrimidine IDPN Tetraethyllead

Movatterモバイル変換