7-Bromoeudistomine D
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Basic information
- CAS
101927-49-5- Standard SMILES
Oc1c(Br)cc2[nH]c3cnccc3c2c1Br- InChIKey
UNIUKKWPGRGSRQ-UHFFFAOYSA-N- Molecular formula
- C11H6Br2N2O
- Average molar mass
- 341.99 g/mol
- Monoisotopic mass
- 339.88469
Overview
inducer of calcium release from fragmented sarcoplasmic reticulum
Names & identifiers
- Preferred name
- 7-Bromoeudistomine D
- IUPAC
- 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol
- English name
- 7-bromoeudistomine D
- Molecular formula
- C11H6Br2N2O
- Molecular weight
- 341.99
Names & synonyms
Bromo-eudistomin D7-Bromoeudistomine D101927-49-5DTXSID80144350RefChem:105889DTXCID30668415,7-dibromo-9H-pyrido[3,4-b]indol-6-olCHEMBL2721857-bromo-eudistomin D5,7-Dibromo-9H-prido(3,4-b)indol-6-olSCHEMBL7085913BDBM50207817
Show more names
9H-Pyrido[3,4-b]indol-6-ol, 5,7-dibromo-
PD0925969H-Prido(3,4-b)indol-6-ol, 5,7-dibromo-
Database identifiers
- CAS
101927-49-5- PubChem CID
- 127993
- DTXSID
DTXSID80144350- ChEMBL
CHEMBL272185- Nikkaji
- J632.126G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 205 °C · 205 °C (decomp)
- Boiling point
- 474.3 · 474.3±40.0 °C(Predicted)
- Density
- 2.137 · 2.137±0.06 g/cm3(Predicted)
- pka
- 5.33 · 5.33±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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