Products Categories
CAS No.: | 52663-81-7 |
---|---|
Name: | Dobutamine hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H24ClNO3 |
Molecular Weight: | 337.846 |
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; |
Melting Point: | None °C |
Boiling Point: | 527.7 °C at 760 mmHg |
Flash Point: | 169.8 °C |
PSA: | 72.72000 |
LogP: | 4.14970 |
What can I do for you?
Get Best Price
The Dobutamine hydrochloride, with the CAS registry number 52663-81-7, has the systematic name of 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride (1:1). It is also known as Dobutamine HCl. And the molecular formula of this chemical is C18H24ClNO3.
The physical properties of Dobutamine hydrochloride are as following: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 30.93 Å2; (13)Flash Point: 169.8 °C; (14)Enthalpy of Vaporization: 83.25 kJ/mol; (15)Boiling Point: 527.7 °C at 760 mmHg; (16)Vapour Pressure: 9.41E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Oc1ccc(cc1O)CCNC(C)CCc2ccc(O)cc2
(2)InChI: InChI=1/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
(3)InChIKey: BQKADKWNRWCIJL-UHFFFAOYAD
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | oral | > 40mg/kg (40mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Medicamentos de Actualidad. Vol. 14, Pg. 431, 1978. |
cat | LDLo | intravenous | > 40mg/kg (40mg/kg) | Pharmacological and Biochemical Properties of Drug Substances. Vol. 1, Pg. 109, 1977. | |
dog | LD50 | oral | > 40mg/kg (40mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Medicamentos de Actualidad. Vol. 14, Pg. 431, 1978. |
dog | LDLo | intravenous | > 40mg/kg (40mg/kg) | Pharmacological and Biochemical Properties of Drug Substances. Vol. 1, Pg. 109, 1977. | |
man | LDLo | intravenous | 5ug/kg/1M-C (0.005mg/kg) | CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP | American Journal of Medicine. Vol. 108, Pg. 352, 2000. |
mouse | LD50 | intraperitoneal | 243mg/kg (243mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 627, 1979. |
mouse | LD50 | intravenous | 34300ug/kg (34.3mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 627, 1979. |
mouse | LD50 | oral | 1324mg/kg (1324mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982. | |
mouse | LD50 | subcutaneous | 341mg/kg (341mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 627, 1979. |
rat | LD50 | intraperitoneal | 260mg/kg (260mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982. | |
rat | LD50 | intravenous | 59600ug/kg (59.6mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 627, 1979. |
rat | LD50 | oral | 2296mg/kg (2296mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982. | |
rat | LD50 | subcutaneous | 368mg/kg (368mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982. |