Basic information
- CAS
606-05-3- Standard SMILES
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O- InChIKey
XMOLCXIDFCGXAR-UHFFFAOYSA-N- Molecular formula
- C24H30BrN7O3
- Average molar mass
- 544.4 g/mol
- Monoisotopic mass
- 543.15935
Overview
See also: Bromotheophylline (has active moiety).
Names & identifiers
- Preferred name
- Pyrabrom
- IUPAC
- 8-bromo-1,3-dimethyl-7H-purine-2,6-dione;N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Names & synonyms
PYRABROMPyrabrom [USAN]606-05-3SMP 68-40UNII-360MH2GO0IPyrabrom (USAN)360MH2GO0INSC14279NSC 14279NSC-14279DTXSID40209398SMP-68-40
Show more names
8-Bromotheophylline compound with 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)pyridine (1:1)RefChem:177393DTXCID60131889DonasilGlybromMensalinParbromSanbromal
Database identifiers
- CAS
606-05-3- PubChem CID
- 11809
- DTXSID
DTXSID40209398- ChEMBL
CHEMBL1965464- UNII
- 360MH2GO0I
Properties
Computed structural properties
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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