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Hexoprenaline dihydrochloride

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Name

Hexoprenaline dihydrochloride

EINECS N/A
CAS No. 4323-43-7 Density N/A
PSA 154.60000 LogP -6.02880
Solubility N/A Melting Point 197.5-198°
Formula C22H32N2O6•2ClH Boiling Point N/A
Molecular Weight 493.48 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous, intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 4323-43-7 (4,4'-[hexane-1,6-diylbis[imino(1-hydroxy-2,1-ethanediyl)]]bispyrocatechol dihydrochloride) Hazard Symbols N/A
Synonyms

Bronocholysin dihydrochloride;EINECS 224-354-2;N,N'-Bis(2-(3',4'-dihydroxyphenyl)-2-hydroxyethyl)hexamethylenediamine dihydrochloride;1,2-Benzenediol,4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-,hydrochloride;Benzyl alcohol, alpha,alpha'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxy-, dihydrochloride;2,2'-(Hexamethylenediimino)-1,1'-bis(3,4-dihydroxyphenyl)diethanol dihydrochloride;ST-1512 dihydrochloride;4,4'-(Hexane-1,6-diylbis(imino(1-hydroxy-2,1-ethanediyl)))bispyrocatechol dihydrochloride;Hexoprenaline dihydrochloride;Hexoprenaline hydrochloride;Hexoprenaline HCl;Ipradol dihydrochloride;

 

Hexoprenaline dihydrochloride Chemical Properties

Product Name: Hexoprenaline dihydrochloride (CAS NO.4323-43-7)


Molecular Formula: C22H34Cl2N2O6
Molecular Weight: 493.42116g/mol
Mol File: 4323-43-7.mol
EINECS: 224-354-2
Boiling point: 707.8 °C at 760 mmHg
Flash Point: 186 °C
Enthalpy of Vaporization: 108.71 kJ/mol
Vapour Pressure: 4.98E-21 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 8
H-Bond Acceptor: 8
Structure Descriptors of Hexoprenaline dihydrochloride (CAS NO.4323-43-7):
  IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium dichloride
  Canonical SMILES: C1=CC(=C(C=C1C(C[NH2+]CCCCCC[NH2+]CC(C2=CC(=C(C=C2)O)O)O)O)O)O.[Cl-].[Cl-]
  InChI: InChI=1S/C22H32N2O6.2ClH/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;;/h5-8,11-12,21-30H,1-4,9-10,13-14H2;2*1H 
  InChIKey: LECFJMMCVCBLPN-UHFFFAOYSA-N

Hexoprenaline dihydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 37mg/kg (37mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 614, 1986.
mouse LD50 intraperitoneal 133mg/kg (133mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.
mouse LD50 intravenous 88mg/kg (88mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.
mouse LD50 oral 2036mg/kg (2036mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.
mouse LD50 subcutaneous 110mg/kg (110mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.
rat LD50 intraperitoneal 139mg/kg (139mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.
rat LD50 intravenous 58mg/kg (58mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 oral 10gm/kg (10000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 subcutaneous 143mg/kg (143mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 1286, 1972.

Hexoprenaline dihydrochloride Safety Profile

Poison by subcutaneous, intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.

Hexoprenaline dihydrochloride Specification

 Hexoprenaline dihydrochloride , its CAS NO. is 4323-43-7, the synonyms are 1,2-Benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-, hydrochloride ; 2,2'-(Hexamethylenediimino)-1,1'-bis(3,4-dihydroxyphenyl)diethanol dihydrochloride ;  Bronocholysin dihydrochloride ; EINECS 224-354-2 ; Hexoprenaline HCl ; Hexoprenaline hydrochloride ; Ipradol dihydrochloride ; N,N'-Bis(2-(3',4'-dihydroxyphenyl)-2-hydroxyethyl)hexamethylenediamine dihydrochloride ; ST-1512 dihydrochloride ; 4,4'-(Hexane-1,6-diylbis(imino(1-hydroxy-2,1-ethanediyl)))bispyrocatechol dihydrochloride ; Benzyl alcohol, alpha,alpha'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxy-, dihydrochloride .

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