Eudistomidin C
Basic information
- CAS
125422-17-5- Standard SMILES
CN[C@H](CSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12- InChIKey
RGJZFVKMTLBCJY-SNVBAGLBSA-N- Molecular formula
- C15H16BrN3OS
- Average molar mass
- 366.3 g/mol
Names & identifiers
- Preferred name
- Eudistomidin C
- IUPAC
- 5-bromo-1-[(1S)-1-(methylamino)-2-methylsulfanylethyl]-9H-pyrido[3,4-b]indol-6-ol
- English name
- 5-Bromo-1-[(S)-1-methylamino-2-methylthioethyl]-β-carbolin-6-ol
- Molecular formula
- C15H16BrN3OS
- Molecular weight
- 366.28
Names & synonyms
Eudistomidin C5-bromo-1-((1S)-1-(methylamino)-2-methylsulfanylethyl)-9H-pyrido(3,4-b)indol-6-ol5-bromo-1-[(1S)-1-(methylamino)-2-methylsulfanylethyl]-9H-pyrido[3,4-b]indol-6-olRefChem:139364125422-17-5CHEMBL18006845-Bromo-1-[(S)-1-methylamino-2-methylthioethyl]-β-carbolin-6-ol9H-Pyrido[3,4-b]indol-6-ol, 5-bromo-1-[(1S)-1-(methylamino)-2-(methylthio)ethyl]-
Database identifiers
- CAS
125422-17-5- ChEMBL
CHEMBL1800684- Nikkaji
- J324.605A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 559.2 · 559.2±50.0 °C(Predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- pka
- 15.89 · 15.89±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…