Basic information
- CAS
52259-64-0- Standard SMILES
COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O.[Cl-]- InChIKey
VVEPUJCLNRDIEQ-UHFFFAOYSA-N- Molecular formula
- C21H20ClNO4
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.1080858
Names & identifiers
- Preferred name
- Fagaronine Chloride
- IUPAC
- 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol chloride
- English name
- Benzo[c]phenanthridinium, 2-hydroxy-3,8,9-trimethoxy-5-methyl-, chloride (9CI) (MF1)
- Molecular formula
- C21H20ClNO4
- Molecular weight
- 385.8408
Names & synonyms
Fagaronine chloride52259-64-08NA32GM9TENSC 1579952-Hydroxy-3,8,9-trimethoxy-5-methylbenzo(c)phenanthridinium chlorideNSC-157995BENZO(c)PHENANTHRIDINIUM, 2-HYDROXY-3,8,9-TRIMETHOXY-5-METHYL-, CHLORIDEBenzo[c]phenanthridinium, 2-hydroxy-3,8,9-trimethoxy-5-methyl-, chloride (1:1)BENZO(C)PHENANTHRIDINIUM, 2-HYDROXY-3,8,9-TRIMETHOXY-5-METHYL-, CHLORIDE (1:1)RefChem:139876NSC157995MLS002702529
Show more names
Benzo[c]phenanthridinium, 2-hydroxy-3,8,9-trimethoxy-5-methyl-, chloride (9CI) (MF1)
52259-64-0 (chloride)Fagaronine (chloride)UNII-8NA32GM9TESCHEMBL424548CHEMBL282622orb1700623SCHEMBL29546268GLXC-02872
Database identifiers
- CAS
52259-64-0- PubChem CID
- 40304
- ChEMBL
CHEMBL282622- UNII
- 8NA32GM9TE
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- FDA UNII
- 8 NA32GM9TE · 8NA32GM9TE
Chemistry & industry
Applications
UsesFagaronine chloride is an alkaloid with inhibitory activity against reverse transcriptase and topoisomerase I. Fagaronine chloride can effectively inhibit the reverse transcriptase of RSii tumor virus at a concentration of 6-60 μg/mL. Fagaronine chloride rapidly blocks the synthesis of DNA polymerase by interacting with the template primer. Fagaronine chloride has shown anti-tumor potential, especially in the study of retroviral infection[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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