CAS No.2016-88-8,Amiloride hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2016-88-8
Name:	Amiloride hydrochloride
Article Data:	3

Formula:	C₆H₈ClN₇O^.HCl
Molecular Weight:	266.09
Synonyms:	Pyrazinecarboxamide,3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohydrochloride (9CI);Pyrazinecarboxamide, N-amidino-3,5-diamino-6-chloro-, monohydrochloride (8CI);1-(3,5-Diamino-6-chloropyrazinecarboxyl)guanidine hydrochloride;Amiloridhydrochloride;Guanamprazine hydrochloride;N-Amidino-3,5-diamino-6-chloropyrazinamide hydrochloride;N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride;
EINECS:	217-958-2
Density:	2.11 g/cm3
Melting Point:	293-294 °C
Boiling Point:	628.1 °C at 760 mmHg
Flash Point:	333.7 °C
Solubility:	<0.1 g/100 mL at 19.5 °C in water
Appearance:	Pale yellow solid
Hazard Symbols:	T,Xi
Risk Codes:	25-36/37/38
Safety:	36-45-26
Transport Information:	UN 2811 6.1/PG 3
PSA:	156.79000
LogP:	2.07300

Synthetic route

: 2016-88-8
amiloride hydrochloride

: 5998-26-5
C6H9N7O*ClH

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; magnesium oxide	59%

: 2016-88-8
amiloride hydrochloride

: 137053-86-2
Amiloride

: Disodium N-[(3,5-diamino-6-chloropyrazinamido)imino-methyl]phosphoramidate monohydrate

Conditions

Conditions	Yield
With sodium hydroxide; trichlorophosphate In pyridine

: 2016-88-8
amiloride hydrochloride

: N-amidino-3,5-diamino-6-iodo-2-pyrazinecarboxamide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium on activated charcoal; hydrogen; magnesium oxide 2: N-iodo-succinimide View Scheme

: 2016-88-8
amiloride hydrochloride

: 1345839-34-0
C6H8BrN7O*ClH

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium on activated charcoal; hydrogen; magnesium oxide 2: N-Bromosuccinimide View Scheme

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Specification

The Amiloride hydrochloride, with the CAS registry number 2016-88-8, is also known as Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohydrochloride. It belongs to the product categories of Active Pharmaceutical Ingredients; Ion Transporter and Other Ion Channel; Ion Channels; Amines; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. Its EINECS registry number is 217-958-2. This chemical's molecular formula is C₆H₈ClN₇O·ClH and molecular weight is 266.09. What's more, both its IUPAC name and systematic name are the same which is called 3,5-Diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide hydrochloride. It should be stored in a cool, dry and well-ventilated place. It can be used as an antikaliuretic-diuretic agent.

Physical properties about Amiloride hydrochloride are: (1)ACD/LogP: 2.065; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.82; (6)ACD/BCF (pH 7.4): 21.83; (7)ACD/KOC (pH 5.5): 316.14; (8)ACD/KOC (pH 7.4): 316.33; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.17 Å²; (13)Flash Point: 333.7 °C; (14)Enthalpy of Vaporization: 92.95 kJ/mol; (15)Boiling Point: 628.1 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-15 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and at low levels cause damage to health. In addition, it is toxic if swallowed and irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(C(=O)\N=C(/N)N)c(nc1N)N.Cl
(2) InChI: InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H
(3) InChIKey: ACHKKGDWZVCSNH-UHFFFAOYSA-N