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Dobutamine hydrochloride

Dobutamine hydrochloride structure

CAS No:
49745-95-1
Formula:
C18H23NO3.ClH
Chemical Name:
Dobutamine hydrochloride
Synonyms:
1,2-Benzenediol,4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-,hydrochloride (1:1);1,2-Benzenediol,4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-,hydrochloride;Dobutamine hydrochloride;dl-Dobutamine hydrochloride;Dobutrex;DL-Dobutamine hydrochloride;Inotrex;NSC 299583;52663-81-7
Categories:
Organic Chemistry > Amides

Description

Dobutamine Hcl(Dobutrex) is a sympathomimetic drug used in the treatment of heart failure and cardiogenic shock. Its primary mechanism is direct stimulation of β1 receptors of the sympathetic nervous system.

A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.

Dobutamine hydrochloride Basic Attributes

Molecular Weight：

337.84

Exact Mass：

337.144470

EC Number：

256-464-1

NSC Number：

299583

HScode：

29222990

Characteristics

PSA：

72.7

XLogP3：

4.14970

Melting Point：

184-186 °C

Boiling Point：

527.7ºC at 760mmHg

Flash Point：

169.8ºC

Water Solubility：

Soluble in water or ethanol with warming. Also soluble in methanol

Storage Conditions：

2-8°C

Toxicity：

LD50 i.v. in mice: ~73 mg/kg (Weber, Tuttle)

Collision Cross Section：

168 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-63-36/37/38-R63-R62-R11-R21-R20

safety instructions：

22-26-36/37/39-36/37-S53-S39-S37-S36-S26-S22

Marks：

Xn,Xi

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332-H361

GHS Classification：

|Warning|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

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. (See all compounds classified as Sympathomimetics.)|Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS. (See all compounds classified as Adrenergic beta-1 Receptor Agonists.)|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). (See all compounds classified as Cardiotonic Agents.)

MeSH Entry Terms：

Dobucor

Dobutamine hydrochloride Use and Manufacturing

Uses

A sympathomimetic drug used to treat heart failure by inhibiting β1 receptors in the sympathetic nervous system. Cardiotonic.

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:337.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:337.1444713
Monoisotopic Mass:337.1444713
Topological Polar Surface Area:72.7
Heavy Atom Count:23
Complexity:305
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Unspecified

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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Registered Holders

CHEMWERTH INC

United States
Active
桂化学株式会社

Japan
Active
Siegfried PharmaChemikalien Minden GmbH

Germany
Active

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