8-((2-Furylmethyl)amino)-7-(2-hydroxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
476481-42-2- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2CCO- InChIKey
VSFGLWLXBWERSO-UHFFFAOYSA-N- Molecular formula
- C13H15N5O4
- Average molar mass
- 305.29 g/mol
- Monoisotopic mass
- 305.11240398
Names & identifiers
- Preferred name
- 8-((2-Furylmethyl)amino)-7-(2-hydroxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-(furan-2-ylmethylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Names & synonyms
476481-42-2RefChem:5472478-((2-Furylmethyl)amino)-7-(2-hydroxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione631-965-18-((Furan-2-ylmethyl)amino)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione8-(furan-2-ylmethylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione8-{[(furan-2-yl)methyl]amino}-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneBAS 06502958STL049643AKOS000580429AKOS005703011ST50024055
Show more names
SR-01000365037SR-01000365037-18-[(2-furylmethyl)amino]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione8-[(furan-2-ylmethyl)amino]-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Database identifiers
- CAS
476481-42-2- PubChem CID
- 943752
- EC Number
- 631-965-1
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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