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Name |
Dobutamine hydrochloride |
EINECS | N/A |
CAS No. | 52663-81-7 | Density | N/A |
PSA | 72.72000 | LogP | 4.14970 |
Solubility | N/A | Melting Point |
None °C |
Formula | C18H24ClNO3 | Boiling Point | 527.7 °C at 760 mmHg |
Molecular Weight | 337.846 | Flash Point | 169.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride (1:1);(±)-3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-β-phenethylamine hydrochl;1,2-benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride;3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-b-phenylethylamine Hydrochloride;4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol hydrochloride; |
Article Data | 2 |
Structure of Dobutamine HCl (CAS NO.49745-95-1):
IUPAC Name: 4-[2-[4-(4-Hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol hydrochloride
Empirical Formula: C18H24ClNO3
Molecular Weight: 337.8411 g/mol
Flash Point: 169.8 °C
Melting point: 184-186 °C(lit.)
Storage Tempreture: 2-8 °C
Boiling Point: 527.7 °C at 760 mmHg
Vapour Pressure: 9.41E-12 mmHg at 25 °C
H-Bond Donor: 5
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 36
Exact Mass: 337.144471
MonoIsotopic Mass: 337.144471
Topological Polar Surface Area: 72.7
Heavy Atom Count: 23
Canonical SMILES: CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.Cl
InChI: InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H
InChIKey: BQKADKWNRWCIJL-UHFFFAOYSA-N
EINECS: 256-464-1
Product Category: Adrenoceptor
Dobutamine HCl (CAS NO.49745-95-1) has been used for heart failure being leaded by organic heart disease as anti-shock drug.
Hazard Codes: Xn, Xi
Risk Statements: 20/21/22-63-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R63:Possible risk of harm to the unborn child.
Safety Statements: 22-26-36/37/39-36/37
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Dobutamine HCl (CAS NO.49745-95-1) also can be called (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochloride ; 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, hydrochloride, (+-)- ; DL-Dobutamine hydrochloride ; Dobutamine hydrochloride ; Dobutamine hydrochloride in dextrose 5% ; Dobutamine hydrochloride in dextrose 5% in plastic container ; Dobutrex ; LY 46236 ; dl-Dobutamine hydrochloride .