1H-Purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)

HCID 68549
NotesReactions

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Basic information

CAS
20684-06-4
Standard SMILES
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.Cl
InChIKey
PDBXHPORMXSXKO-UHFFFAOYSA-N
Molecular formula
C20H28ClN5O3
Average molar mass
421.9 g/mol
Monoisotopic mass
421.1880675

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
IUPAC
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

Names & synonyms

Bamifylline hydrochloride20684-06-4Bamifylline HCl8102 CBAC 3810DTXSID4048721BAX 2739ZBAX-2739Z66466QLM3S8102-CBAC-3810DTXCID7028647
Show more names
1H-PURINE-2,6-DIONE, 7-(2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-8-(PHENYLMETHYL)-, HYDROCHLORIDE (1:1)RefChem:560918243-967-6Bamifylline hydrochloride [USAN]3736-86-58-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride1H-Purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, monohydrochlorideTrentadil

Database identifiers

CAS
20684-06-4、3736-86-5
PubChem CID
68549
DTXSID
DTXSID4048721
ChEMBL
CHEMBL2105899
UNII
66466QLM3S
EC Number
243-967-6

Properties

Computed structural propertiesFilling in

Topological polar surface area
81.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (50%)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Compounds capable of relieving pain without the loss of CONSCIOUSNESS.

Agents that cause an increase in the expansion of a bronchus or bronchial tubes.

Drugs used to cause dilation of the blood vessels.

Suppliers8 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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