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Name	Capobenate Sodium	EINECS	N/A
CAS No.	27276-25-1	Density	g/cm³
PSA	100.41000	LogP	1.32730
Solubility	N/A	Melting Point	N/A
Formula	C16H23 N O6 . Na	Boiling Point	472.8°Cat760mmHg
Molecular Weight	347.38	Flash Point	239.7°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by intravenous and intraperitoneal routes. Mildly toxic by ingestion. Used as a cardiac anti-arrhythmic. When heated to decomposition it emits toxic fumes of NO_x and Na₂O.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Hexanoicacid, 6-(3,4,5-trimethoxybenzamido)-, monosodium salt (8CI); Hexanoic acid, 6-[(3,4,5-trimethoxybenzoyl)amino]-,monosodium salt (9CI); 3,4,5-Trimethoxybenzoyl-e-aminocaproate sodium; C 3; C 3 (pharmaceutical);Capben; Capobenate; Capobenate sodium; Sodium 3,4,5-trimethoxybenzoyl-e-aminocaproate; Sodium6-(3,4,5-trimethoxybenzamido)hexanoate; Sodium capobenate

Capobenate Sodium Chemical Properties

Molecule structure of Capobenate Sodium (CAS NO.27276-25-1) :

IUPAC Name: sodium 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoate
Molecular Weight: 347.33875 g/mol
Molecular Formula: C₁₆H₂₂NNaO₆
Boiling Point: 472.8 °C at 760 mmHg
Flash Point: 239.7 °C
Enthalpy of Vaporization: 77.51 kJ/mol
Vapour Pressure: 9.61E-10 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 10
Tautomer Count: 2
Exact Mass: 347.134482
MonoIsotopic Mass: 347.134482
Topological Polar Surface Area: 96.9
Heavy Atom Count: 24
Complexity: 368
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)[O-].[Na+]
InChI: InChI=1S/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
InChIKey: SNOOUWRIMMFWNE-UHFFFAOYSA-M
EINECS: 248-381-4

Capobenate Sodium Toxicity Data With Reference

1.	ipr-rat LD50:2500 mg/kg	USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3697563 .
2.	orl-mus LD50:5 g/kg	USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3697563 .
3.	ipr-mus LD50:3 g/kg	USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3697563 .
4.	ivn-mus LD50:2500 mg/kg	USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3697563 .

Capobenate Sodium Safety Profile

Moderately toxic by intravenous and intraperitoneal routes. Mildly toxic by ingestion. Used as a cardiac anti-arrhythmic. When heated to decomposition it emits toxic fumes of NO_x and Na₂O.

Capobenate Sodium Specification

Capobenate Sodium (CAS NO.27276-25-1) is also called 6-((3,4,5-Trimethoxybenzoyl)amino)hexanoic acid sodium salt ; C 3 ; C-3 sodium salt ; C3 ; Capben ; Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-, monosodium salt ; Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate ; UNII-505434F98H ; epsilon-(3,4,5-Trimethoxybenzamido)caproic acid sodium salt ; epsilon-(3,4,5-Trimethoxybenzamido)capronsaeure natrium ; epsilon-(3,4,5-Trimethoxybenzamido)capronsaeure natrium [German] ; Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-, monosodium salt ; Hexanoic acid, 6-(3,4,5-trimethoxybenzamido)-, monosodium salt . Capobenate Sodium (CAS NO.27276-25-1) is moderate toxic. It will produce toxic nitrogen oxides and sodium oxide smoke by heat. So the storage environment should be ventilate, low-temperature and dry.

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