 Home > Encyclopedia > 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride structure

CAS No:
3039-97-2
Formula:
C18H23N5O3.ClH
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-,monohydrochloride;Theophylline,7-[2-[(β-hydroxy-α-methylphenethyl)amino]ethyl]-,monohydrochloride;1H-Purine-2,6-dione,3,7-dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-,monohydrochloride,[R-(R*,S*)]-;Norephedrine theophylline;[R-(R*,S*)]-3,7-Dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride;102367-58-8;3886-30-4;16232-86-3
Categories:
Organic Chemistry > Amides

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1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride Basic Attributes

Molecular Weight：

393.86800

Exact Mass：

393.15700

EC Number：

221-243-0

UNII：

L0N3M64B9R

Characteristics

PSA：

94.08000

XLogP3：

1.33830

Boiling Point：

591.6ºC at 760mmHg

Flash Point：

311.6ºC

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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.)|Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

7-(2-(1-methyl-2-hydroxy-2-phenylethylamino)ethyl)theophylline

Computed Properties

Molecular Weight:393.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:393.1567673
Monoisotopic Mass:393.1567673
Topological Polar Surface Area:90.7
Heavy Atom Count:27
Complexity:525
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

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