Basic information
- CAS
49745-95-1- Standard SMILES
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl- InChIKey
BQKADKWNRWCIJL-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.14447131
Overview
Dobutamine Hydrochloride is the hydrochloride salt form of dobutamine, a synthetic catecholamine with direct inotropic activity. Dobutamine hydrochloride, mimics the effects of dopamine and stimulates beta-1 adrenergic receptors located in the myocardium. This leads to an increase in heart rate and force and results in an increase in cardiac output.
Names & identifiers
- Preferred name
- Dobutamine Hydrochloride
- IUPAC
- 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride
- English name
- dobutamine hydrochloride
- Molecular formula
- C18H24ClNO3
- Molecular weight
- 337.84106
Names & synonyms
Dobutamine hydrochloride49745-95-1Dobutamine HclDL-Dobutamine hydrochloride0WR771DJXVNSC-299583Dobutamine in DextroseHydrochloride, DobutamineDobutamine hydrochloride in dextrose 5%DTXSID30964383Dobutamine Hydrochloride In DextroseNSC299583
Show more names
Dobutamine hydrochloride (en)
Dobutamine hydrochloride in dextrose 5% in plastic containerCHEBI:4671RefChem:56521DTXCID8013920844-(2-((1RS)-3-(4-Hydroxyphenyl)-1-methylpropylamino)ethyl)benzene-1,2-diol monohydrochlorideDobutrexInotrex52663-81-7
Database identifiers
- CAS
49745-95-1、52663-81-7- PubChem CID
- 65324
- DTXSID
DTXSID30964383- ChEMBL
CHEMBL1200418- UNII
- 0WR771DJXV
- EC Number
- 256-464-1
Properties
Computed structural properties
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section168 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- CAS DataBase Reference
- 52663 · 52663-81-7
- FDA UNII
- 0 WR771DJXV · 0WR771DJXV
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Dobutamine hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
DOBUTAMINE HYDROCHLORIDE
beta-Adrenergic Agonist [EPC]; Adrenergic beta-Agonists [MoA]
DOBUTAMINE IN DEXTROSE
beta-Adrenergic Agonist [EPC]; Adrenergic beta-Agonists [MoA]
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS.
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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