 Home > Encyclopedia > 1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1) structure

CAS No:
2572-61-4
Formula:
C17H21N5O5.ClH
Chemical Name:
1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)
Synonyms:
1H-Purine-2,6-dione,7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-,hydrochloride (1:1);Theophylline,7-[2-[(β,3,4-trihydroxyphenethyl)amino]ethyl]-,monohydrochloride;1H-Purine-2,6-dione,7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-,monohydrochloride;Theophylline,7-[2-[(β,3,4-trihydroxyphenethyl)amino]ethyl]-,hydrochloride;NSC 293888
Categories:
Organic Chemistry > Amides

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1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

411.84008

Exact Mass：

411.131

EC Number：

219-920-0

NSC Number：

293888

Characteristics

PSA：

131

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P285, P301+P312, P304+P312, P304+P340, P304+P341, P312, P330, P342+P311, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P285, P301+P312, P304+P312, P304+P340, P304+P341, P312, P330, P342+P311, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:411.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:411.1309465
Monoisotopic Mass:411.1309465
Topological Polar Surface Area:131
Heavy Atom Count:28
Complexity:564
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
Learn More Other Chemicals

1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

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