Basic Information | Post buying leads | Suppliers |
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 | 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; |
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
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. |
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 , 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 .