1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
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![1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6a0aa2053e1b42dd9d0b3545d4102d72.png "1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)")
1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
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CAS No:
20684-06-4
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Formula:
C20H27N5O3.ClH
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Chemical Name:
1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
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Synonyms:
1H-Purine-2,6-dione,7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-,hydrochloride (1:1);Theophylline,8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-,monohydrochloride;1H-Purine-2,6-dione,7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-,monohydrochloride;Bamifylline monohydrochloride;Bamifylline hydrochloride;Benzethamophylline hydrochloride;Trentadil;AC 3810;Briofil;BAX 2739Z
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CAS No:
1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1) Basic Attributes
421.926
421.18800
243-967-6
66466QLM3S
DTXSID4048721
Characteristics
81.9
1.14070
185-186 °C
619ºC at 760 mmHg
328.1ºC
LD50 in mice, rats (mg/kg): 246, 1139 orally; 89, 131 i.p.; 67, 65 i.v. (Georges)
Safety Information
P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, 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
Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)|Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)|Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)
bamifylline
1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1) Use and Manufacturing
Bronchodilator.
Computed Properties
Molecular Weight:421.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:421.1880675
Monoisotopic Mass:421.1880675
Topological Polar Surface Area:81.9
Heavy Atom Count:29
Complexity:554
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)
85665-61-8
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1H-Purine-2,6-dione, 7-[2-(diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)
17140-68-0
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1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-, hydrochloride (1:1)
1236-36-8
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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) Formula
2572-61-4
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1H-Purine-2,6-dione, 8-[[2-(butylamino)ethyl]amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-, hydrochloride (1:1) Formula
130187-60-9
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1H-Purine-2,6-dione, 7-[2-(dimethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-8-(3-pyridinylmethyl)-, hydrochloride (1:?) Formula
31840-19-4
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1H-Purine-2,6-dione, 7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:?) Structure
74039-63-7
1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
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