Mitoquidone
Basic information
- CAS
91753-07-0- Standard SMILES
O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1- InChIKey
BFRVNBMAWXNICS-UHFFFAOYSA-N- Molecular formula
- C20H13NO2
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.09462866
Overview
Mitoquidone is a small molecule drug. Mitoquidone has a monoisotopic molecular weight of 299.09 Da.
Names & identifiers
- Preferred name
- Mitoquidone
- IUPAC
- 11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,4,6,8,12,15,17,19-octaene-14,21-dione
- English name
- Mitoquidone
- Molecular formula
- C20H13NO2
- Molecular weight
- 299.32
Names & synonyms
Mitoquidone91753-07-0MitoquidonumMitoquidona5,14-Dihydrobenz(5,6)isoindolo(2,1-b)isoquinoline-8,13-dioneNSC-382057GR 30921OWD9JI448NGR-30921DTXSID602386855,14-DIHYDROBENZ[5,6]ISOINDOLO[2,1-B]ISOQUINOLINE-8,13-DIONERefChem:159101
Show more names
Benz[5,6]isoindolo[2,1-b]isoquinoline-8,13-dione, 5,14-dihydro-
DTXCID10161176GR3092111-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,4,6,8,12,15,17,19-octaene-14,21-dioneMitoquidon5,14-dihydrobenzo[5,6]isoindolo[2,1-b]isoquinoline-8,13-dioneMitoquidonum [Latin]Mitoquidona [Spanish]Mitoquidone [INN:BAN]
Database identifiers
- CAS
91753-07-0- PubChem CID
- 71772
- DTXSID
DTXSID60238685- ChEMBL
CHEMBL2106913- UNII
- OWD9JI448N
- Nikkaji
- J401.251H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 558.3 · 558.3±49.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -7.39 · -7.39±0.20(Predicted)
- FDA UNII
- 9 JI448N · OWD9JI448N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMitoquidone (GR-30921) is is the first member of a group of pentacyclic pyrroloquinones. Mitoquidone shows good activity in a range of experimental solid tumour models. Mitoquidone can be used for the research of anti-cancer[1].
Suppliers
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Related reactions
3 records
Compound notes
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