Eudistalbin A
Basic information
- CAS
142755-07-5- Standard SMILES
CC(C)CC(N)c1nccc2c1[nH]c1cc(Br)ccc12- InChIKey
PWUUECLZOMPMHQ-UHFFFAOYSA-N- Molecular formula
- C16H18BrN3
- Average molar mass
- 332.24 g/mol
- Monoisotopic mass
- 331.06841
Overview
structure given in first source; isolated from the marine tunicate Eudistoma album
Names & identifiers
- Preferred name
- Eudistalbin A
- IUPAC
- 1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methylbutan-1-amine
- English name
- eudistalbin A
- Molecular formula
- C16H18BrN3
- Molecular weight
- 332.23822
Names & synonyms
Eudistalbin A142755-07-5DTXSID409316271-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methylbutan-1-amine1-(7-Bromo-9H-pyrido(3,4-b)indol-1-yl)-3-methylbutan-1-amineRefChem:139359DTXCID901360333CHEMBL490167SCHEMBL160720119H-Pyrido(3,4-b)indole-1-methanamine, 7-bromo-alpha-(2-methylpropyl)-, (-)-
Database identifiers
- CAS
142755-07-5- PubChem CID
- 5487489
- DTXSID
DTXSID40931627- ChEMBL
CHEMBL490167
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…