D 15413
Basic information
- CAS
83364-03-8- Standard SMILES
CCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c(Cl)cc(O)cc21- InChIKey
ZATDYQOGSPTLBG-UHFFFAOYSA-N- Molecular formula
- C16H12Cl3NO2
- Average molar mass
- 356.6 g/mol
- Monoisotopic mass
- 354.993362
Overview
structure given in first source
Names & identifiers
- Preferred name
- D 15413
- IUPAC
- 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol
- English name
- D 15413
- Molecular formula
- C16H12Cl3NO2
- Molecular weight
- 356.63098
Names & synonyms
83364-03-8D 15413D-15413INDOL-6-OL, 4-CHLORO-2-(2,6-DICHLORO-4-HYDROXYPHENYL)-1-ETHYL-DTXSID60232300RefChem:919532DTXCID201547914-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethylindol-6-olNSC-370875DE44SE4G4T4-Chloro-2-(3,5-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-1H-indol-6-ol
Show more names
4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-6-hydroxyindoleNSC 370875BRN 5613402UNII-DE44SE4G4TCHEMBL15769orb1703563SCHEMBL10797858NSC370875
Database identifiers
- CAS
83364-03-8- PubChem CID
- 54995
- DTXSID
DTXSID60232300- ChEMBL
CHEMBL15769- UNII
- DE44SE4G4T
- Nikkaji
- J1.840.622E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- FDA UNII
- 44 SE4G4T · DE44SE4G4T
Chemistry & industry
Applications
UsesD 15413 is an orally active antagonist for nonsteroidal estrogen. D 15413 inhibits growth of estrogen receptor positive MCF-7 cell with an inhibition rate of 70% at 10-7 M. D 15413 exhibits antitumor efficacy against DMBA (HY-W011845) or MNU (HY-34758)-induced breast cancer[1].
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Compound notes
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