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7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
13460-98-5
Formula:
C17H21N5O5
Chemical Name:
7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-;Theophylline,7-[2-[(β,3,4-trihydroxyphenethyl)amino]ethyl]-;7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;Theodrenaline;(±)-Theodrenaline
Categories:
Organic Chemistry > Amides

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Description

Theodrenaline is an oxopurine.|Theodrenaline is under investigation in clinical trial NCT01311414 (Effect of Cafedrine/Theodrenaline and Urapidil on Cerebral Oxygenation).

7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

375.37900

Exact Mass：

375.38

ATC Code：

C - Cardiovascular system

Characteristics

PSA：

134.54000

XLogP3：

-0.44100

Density：

1.51g/cm3

Boiling Point：

723.6ºC

Flash Point：

391.4ºC

Refractive Index：

1.696

Vapor Pressure：

5.61E-22mmHg at 25°C

Drug Information

MeSH：

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

MeSH Entry Terms：

noradrenaline theophylline

Computed Properties

Molecular Weight:375.4
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:375.15426879
Monoisotopic Mass:375.15426879
Topological Polar Surface Area:131
Heavy Atom Count:27
Complexity:564
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Latest News
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