Topixantrone
Basic information
- CAS
156090-18-5- Standard SMILES
CN(C)CCNc1ccc2c3c(nn2CCNCCO)-c2cnccc2C(=O)c13- InChIKey
ZHAKYGFJVGCOAE-UHFFFAOYSA-N- Molecular formula
- C21H26N6O2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.21172409
Overview
Topixantrone is a small molecule drug. Topixantrone has a monoisotopic molecular weight of 394.21 Da.
Names & identifiers
- Preferred name
- Topixantrone
- IUPAC
- 10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
- English name
- Indazolo[4,3-gh]isoquinolin-6(2H)-one,5-[[2-(dimethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-
- Molecular formula
- C21H26N6O2
- Molecular weight
- 394.47014
Names & synonyms
Topixantrone156090-18-5BBR 3576BBR-3576TopixantronaR40RXC296CBBR3576DTXSID30166042Indazolo(4,3-gh)isoquinolin-6(2H)-one, 5-((2-(dimethylamino)ethyl)amino)-2-(2-((2-hydroxyethyl)amino)ethyl)-topixantronumRefChem:933191DTXCID6088533
Show more names
Indazolo[4,3-gh]isoquinolin-6(2H)-one,5-[[2-(dimethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-
5-((2-(dimethylamino)ethyl)amino)-2-(2-((2-hydroxyethyl)amino)ethyl)indazolo[4,3-gh]isoquinolin-6(2h)-oneBBR 3576 (DIHYDROCHLORIDE)10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-oneToxipantrone5-((2-(Dimethylamino)ethyl)amino)-2-(2-((2-hydroxyethyl)amino)ethyl)indazolo(4,3-gh)isoquinolin-6(2H)-oneUNII-R40RXC296CTopixantrone [USAN:INN:BAN]5-[[2-(Dimethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]indazolo[4,3-gh]isoquinolin-6(2H)-one
Database identifiers
- CAS
156090-18-5- PubChem CID
- 219022
- DTXSID
DTXSID30166042
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- FDA UNII
- 40 RXC296C · R40RXC296C
Chemistry & industry
Applications
UsesTopixantrone (BBR 3576) is an antitumor agent, and shows antitumor activity on prostate carcinoma[1].
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Compound notes
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