Bisoprolol fumarate structure, CAS 104344-23-2

Bisoprolol fumarate

CAS Number104344-23-2

SynonymsConcor; Bisoprolol fumarate; Isoten; Monocor; {1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol}2 fumarate; EMCOR; Euradal; SOPROL; Bisoprolol hemifumarate; 1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol (2E)-but-2-enedioate (2:1); (±)-Bisoprolol hemifumarate; Zebeta; Detensiel; Seafuri; MFCD00792743; (±)-1-<4-(2-isopropoxyethoxymethyl)-phenoxy>-3-isopropylamino-2-propanol hemifumarate; 1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)-2-propanol (2E)-2-butenedioate (2:1); Bisoprolol hemifumarate salt; Emconcor; Well-bi; (±)-Bisoprolol (hemifumarate)

Molecular FormulaC40H66N2O12

Molecular Weight383.48

Purity97.5%

Density1.033 g/cm3

Boiling Point445ºC at 760 mmHg

Melting Point100ºC

Flash Point

Appearancesolid | white

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Cat. No.: 2A-9009416 Purity: 97.5%
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Quality Control of [ 104344-23-2 ] Purity: 97.5% SDS Specification MoL

Chemical & Physical Properties
CAS Number104344-23-2
Catalog No.2A-9009416
Chinese Name富马酸比索洛尔
SynonymsConcor; Bisoprolol fumarate; Isoten; Monocor; {1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol}2 fumarate; EMCOR; Euradal; SOPROL; Bisoprolol hemifumarate; 1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol (2E)-but-2-enedioate (2:1); (±)-Bisoprolol hemifumarate; Zebeta; Detensiel; Seafuri; MFCD00792743; (±)-1-<4-(2-isopropoxyethoxymethyl)-phenoxy>-3-isopropylamino-2-propanol hemifumarate; 1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)-2-propanol (2E)-2-butenedioate (2:1); Bisoprolol hemifumarate salt; Emconcor; Well-bi; (±)-Bisoprolol (hemifumarate)
Molecular FormulaC40H66N2O12
Molecular Weight383.48
Purity97.5
Density1.033 g/cm3
Boiling Point445ºC at 760 mmHg
Melting Point100ºC
Appearancesolid | white
Water SolubilityDMSO: >20 mg/mL
Storage ConditionWarehouse is low temperature, ventilated and dry
ApplicationBisoprolol is a beta1 adrenergic receptor blocker.
HTC2933990090
MDL NumberMFCD00792743
SMILESOC(=O)\C=C\C(O)=O.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc2ccc(COCCOC(C)C)cc2
InChI1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChI KeyVMDFASMUILANOL-WXXKFALUSA-N
Hazard SymbolsTransport
MSDSmsds/9416_1_104344_23_2.pdf
BioactivityBisoprolol is a selective type β1 adrenergic receptor blocker.Target: Adrenergic ReceptorApproved: July 31, 1992Bisoprolol, on beta 1-adrenoceptor peptide induced autoimmune myocardial damage. In the animal model of autoimmune cardiomyopathy induced by active immunization of rabbits with beta 1-adrenoceptor peptide, bisoprolol was given at a dose of 3 mg/day throughout the study period. Our results showed high titer of anti-beta 1-adrenoceptor antibody in the immunized group throughout the study but not in the group receiving only bisoprolol [1]. Bisoprolol administration resulted in a significant reduction in HR reaching 60.3 ± 1.4 bpm at VT of 500 mL (compared to 70.5 ± 1.8 bpm with placebo, P < 0.001). Changes in HP were also significant with an increase in HP reaching 1004.5 ± 22.2 msec at this controlled VT (compared to 860.3 ± 21.5 msec with placebo, P < 0.001) [2].Toxicity: Oral, mouse: LD50 = 100 mg/kg; Skin, rabbit: LD50 = 200 mg/kg; Skin, rat: LD50 = 500 mg/kg. Symptoms of overdose include congestive heart failure (marked by sudden weight gain, swelling of the legs, feet, and ankles, fatigue, and shortness of breath), difficult or labored breathing, low blood pressure, low blood sugar, and slow heartbeat. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Inflammation/Immunology References [1]. Matsui, S., et al., Protective effect of bisoprolol on beta-1 adrenoceptor peptide-induced autoimmune myocardial damage in rabbits. Herz, 2000. 25(3): p. 267-70. [2]. Wargon, M., et al., Acute effects of bisoprolol on respiratory sinus arrhythmia. Fundam Clin Pharmacol, 1998. 12(4): p. 451-6. Chemical & Physical Properties Density 1.033 g/cm3 Boiling Point 445ºC at 760 mmHg Melting Point 100ºC Molecular Formula C40H66N2O12 Molecular Weight 766.96 Flash Point 222.9ºC PSA 134.55000 LogP 2.46860 Appearance of Characters solid | white Vapour Pressure 1.06E-08mmHg at 25°C InChIKey VMDFASMUILANOL-WXXKFALUSA-N SMILES CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C([O-])C=CC(=O)[O-].[H+].[H+] Water Solubility DMSO: >20 mg/mL
Use ofProperties Articles37 Name bisoprolol fumarate Synonym More Synonyms Bisoprolol Fumarate Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Inflammation/Immunology References [1]. Matsui, S., et al., Protective effect of bisoprolol on beta-1 adrenoceptor peptide-induced autoimmune myocardial damage in rabbits. Herz, 2000. 25(3): p. 267-70. [2]. Wargon, M., et al., Acute effects of bisoprolol on respiratory sinus arrhythmia. Fundam Clin Pharmacol, 1998. 12(4): p. 451-6. Chemical & Physical Properties Molecular Formula C40H66N2O12 PSA 134.55000 LogP 2.46860 Appearance of Characters solid | white InChIKey VMDFASMUILANOL-WXXKFALUSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 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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