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| CAS No.: | 49745-95-1 |
|---|---|
| Name: | DOBUTAMINE HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H24ClNO3 |
| Molecular Weight: | 337.846 |
| Synonyms: | 1,2-Benzenediol,4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride (9CI);DL-Dobutamine hydrochloride;Dobutrex;Inotrex;NSC299583; |
| EINECS: | 256-464-1 |
| Melting Point: | 184-186 °C(lit.) |
| Boiling Point: | 527.7 °C at 760 mmHg |
| Flash Point: | 169.8 °C |
| Solubility: | Soluble in water or ethanol with warming. Also soluble in methanol |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-63-36/37/38 |
| Safety: | 22-26-36/37/39-36/37 |
| Transport Information: | 25kgs |
| PSA: | 72.72000 |
| LogP: | 4.14970 |
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Chemistry
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
Uses
Dobutamine HCl (CAS NO.49745-95-1) has been used for heart failure being leaded by organic heart disease as anti-shock drug.
Safety Profile
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
Specification
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 .