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Amiodarone Impurity B structure, CAS 96027-74-6

Amiodarone Impurity B

CAS Number96027-74-6

SynonymsDesethylamiodarone hydrochloride; desethylamiodarone; (2-Butyl-1-benzofuran-3-yl){4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl}methanone hydrochloride (1:1); Methanone, (2-butyl-3-benzofuranyl)[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]-, hydrochloride (1:1); mono-N-desethylamiodarone hydrochloride; Desethyl Amiodarone Hydrochloride

Molecular FormulaC23H26ClI2NO3

Molecular Weight653.72

Purity

Density

Boiling Point630.3ºC at 760 mmHg

Melting Point176-178ºC

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-3176341 Purity:
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Quality Control of [ 96027-74-6 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number96027-74-6
Catalog No.2A-3176341
Chinese Name去乙基胺碘酮盐酸盐
SynonymsDesethylamiodarone hydrochloride; desethylamiodarone; (2-Butyl-1-benzofuran-3-yl){4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl}methanone hydrochloride (1:1); Methanone, (2-butyl-3-benzofuranyl)[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]-, hydrochloride (1:1); mono-N-desethylamiodarone hydrochloride; Desethyl Amiodarone Hydrochloride
Molecular FormulaC23H26ClI2NO3
Molecular Weight653.72
Boiling Point630.3ºC at 760 mmHg
Melting Point176-178ºC
Storage Condition-20°C Freezer, Under Inert Atmosphere
ApplicationDesethylamiodarone hydrochloride (N-desethylamiodarone hydrochloride) is the main active metabolite of Amiodarone. Desethylamiodarone hydrochloride is formed by the CYP3A isoenzyme. Amiodarone is an a
MDL NumberMFCD08060094
SMILESCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1.Cl
InChIInChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H
InChI KeyOCQPMJVGWGJLLG-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
MSDSmsds/176852_1_96027_74_6.pdf
BioactivityDesethylamiodarone hydrochloride (N-desethylamiodarone hydrochloride) is a major active metabolite of Amiodarone. Desethylamiodarone hydrochloride is formed by CYP3A isoenzymes. Amiodarone is an antiarrhythmic agent for inhibition of ATP-sensitive potassium channel with an IC50 of 19.1 μM[1][2][3]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel References [1]. Shayeganpour A, et al. Determination of the enzyme(s) involved in the metabolism of amiodarone in liver and intestine of rat: the contribution of cytochrome P450 3A isoforms. Drug Metab Dispos. 2006 Jan;34(1):43-50. [2]. Singh, B.N. and E.M. Vaughan Williams, The effect of amiodarone, a new anti-anginal drug, on cardiac muscle. Br J Pharmacol, 1970. 39(4): p. 657-67. [3]. Rosenbaum, M.B., et al., Clinical efficacy of amiodarone as an antiarrhythmic agent. Am J Cardiol, 1976. 38(7): p. 934-44. Chemical & Physical Properties Boiling Point 630.3ºC at 760 mmHg Melting Point 176-178ºC Molecular Formula C23H26ClI2NO3 Molecular Weight 653.719 Flash Point 335ºC Exact Mass 652.969055 PSA 51.47000 LogP 7.39680 InChIKey OCQPMJVGWGJLLG-UHFFFAOYSA-N SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1.Cl Storage condition -20°C Freezer, Under Inert Atmosphere Stability Moisture Sensitive
Use ofDesethylamiodarone hydrochloride (N-desethylamiodarone hydrochloride) is a major active metabolite of Amiodarone. Desethylamiodarone hydrochloride is formed by CYP3A isoenzymes. Amiodarone is an antiarrhythmic agent for inhibition of ATP-sensitive potassium channel with an IC50 of 19.1 μM[1][2][3]. Properties Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone,hydrochloride Synonym More Synonyms Desethyl Amiodarone Hydrochloride Biological Activity Description Desethylamiodarone hydrochloride (N-desethylamiodarone hydrochloride) is a major active metabolite of Amiodarone. Desethylamiodarone hydrochloride is formed by CYP3A isoenzymes. Amiodarone is an antiarrhythmic agent for inhibition of ATP-sensitive potassium channel with an IC50 of 19.1 μM[1][2][3]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel References [1]. Shayeganpour A, et al. Determination of the enzyme(s) involved in the metabolism of amiodarone in liver and intestine of rat: the contribution of cytochrome P450 3A isoforms. Drug Metab Dispos. 2006 Jan;34(1):43-50. [2]. Singh, B.N. and E.M. Vaughan Williams, The effect of amiodarone, a new anti-anginal drug, on cardiac muscle. Br J Pharmacol, 1970. 39(4): p. 657-67. [3]. Rosenbaum, M.B., et al., Clinical efficacy of amiodarone as an antiarrhythmic agent. Am J Cardiol, 1976. 38(7): p. 934-44. Chemical & Physical Properties Exact Mass 652.969055 PSA 51.47000 LogP 7.39680 InChIKey OCQPMJVGWGJLLG-UHFFFAOYSA-N Stability Moisture Sensitive
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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