Bumepidil
Basic information
- CAS
62052-97-5- Standard SMILES
Cc1nc2ncnn2c2c1CCN2C(C)(C)C- InChIKey
NJJPSFAJAKVSST-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Overview
Bumepidil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Bumepidil is a vasodilator. Bumepidil has a monoisotopic molecular weight of 231.15 Da.
Names & identifiers
- Preferred name
- Bumepidil
- IUPAC
- 3-tert-butyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
- English name
- Bumepidil
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
Bumepidil62052-97-5Bumepidilum9FNZ7TFY4RCS-611DTXSID808669048-tert-Butyl-7,8-dihydro-5-methyl-6H-pyrrolo(3,2-e)-s-triazolo(1,5-a)pyrimidineRefChem:121896DTXCID808151348-tert-butyl-7,8-dihydro-5-methyl-6H-pyrrolo(3,2-e)(1,2,4)triazolo(1,5-a)pyrimidineBumepidil [INN]3-tert-butyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
Show more names
CS 6118-tert-Butyl-7,8-dihydro-5-methyl-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine8-(tert-Butyl)-7,8-dihydro-5-methyl-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine6H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine, 8-(1,1-dimethylethyl)-7,8-dihydro-5-methyl-
Bumepidilum [INN-Latin]UNII-9FNZ7TFY4RBUMEPIDIL [JAN]CHEMBL367197orb2815665SCHEMBL2109372NS00123767T202041
Database identifiers
- CAS
62052-97-5- PubChem CID
- 68813
- DTXSID
DTXSID80866904- ChEMBL
CHEMBL367197- UNII
- 9FNZ7TFY4R
- Nikkaji
- J17.985J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.20(Predicted)
- FDA UNII
- 9 FNZ7TFY4R · 9FNZ7TFY4R
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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