1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
18869-73-3- Standard SMILES
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)N(C(C)=O)c3ccccc32)cc1- InChIKey
JPGUEMQIAGJQSJ-UHFFFAOYSA-N- Molecular formula
- C26H21NO6
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 443.13688739
Names & identifiers
- Preferred name
- 1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- [4-[1-acetyl-3-(4-acetyloxyphenyl)-2-oxoindol-3-yl]phenyl] acetate
- English name
- 4,4'-(1-acetyl-2-oxoindolin-3-ylidene)diphenyl di(acetate)
- Molecular formula
- C26H21NO6
- Molecular weight
- 443.44804
Names & synonyms
18869-73-3ZHJ4JHL6HB2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-Laxagetten 4,4'-diacetoxydiphenylpyridylemethane2H-Indol-2-one, 1-acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-DTXSID20664341-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one1-Acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-2H-indol-2-oneRefChem:152560DTXCID5035959PhenisatinTriacetyldiphenolisatin
Show more names
UnilaxTriacephentinumOxyphenisatin Diacetate Impurity 51
TrisatinLaxagetten[4-[1-acetyl-3-(4-acetyloxyphenyl)-2-oxoindol-3-yl]phenyl] acetateLaxagen4,4'-(1-Acetyl-2-oxoindolin-3-ylidene)diphenyl di(acetate)IsatexNeo-HollaxansTrialax
Database identifiers
- CAS
18869-73-3- PubChem CID
- 29321
- DTXSID
DTXSID2066434- ChEMBL
CHEMBL1909288- UNII
- ZHJ4JHL6HB
- EC Number
- 242-638-4
- Nikkaji
- J11.024H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Melting point
- 201.5 °C · 201.5°C
- Boiling point
- 553.76 °C · 553.76°C (rough estimate)
- Density
- 1.3106 · 1.3106 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 4 JHL6HB · ZHJ4JHL6HB
- EPA Substance Registry System
- 2 H-Indol-2-one, · 2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro- (18869-73-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-: Environment tier I assessment
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Triacetyldiphenolisatin
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-: INACTIVE
Suppliers
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Compound notes
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