Basic information
- CAS
55690-47-6- Standard SMILES
CC(C(=O)O)c1ccc2c(c1)OCc1ccccc1C2=O- InChIKey
ZLHKCAHRTBIOOR-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- DD-3305
- IUPAC
- 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid
- English name
- DD-3305
- Molecular formula
- C17H14O4
- Molecular weight
- 282.29066
Names & synonyms
DD-330555690-47-6DIBENZ(b,e)OXEPIN-3-ACETIC ACID, 6,11-DIHYDRO-alpha-METHYL-11-OXO-RefChem:131059DD 33052-(6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-yl)propionic acid2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acidBRN 13226385-18-08-00466 (Beilstein Handbook Reference)orb1697551SCHEMBL9734614CHEMBL3251984
Show more names
DD 35052-(6,11-Dihydro-11-oxodibenz[b,e]oxepin-3-yl)propionic acid6,11-Dihydro-α-methyl-11-oxodibenz[b,e]oxepine-3-acetic acid
DTXSID70971056AKOS040751420HY-131416CS-0134276T312292-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)propanoic acid
Database identifiers
- CAS
55690-47-6- PubChem CID
- 41533
- DTXSID
DTXSID70971056- ChEMBL
CHEMBL3251984- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Chemistry & industry
Applications
UsesDD-3305 is an anti-inflammatory agent with comparable anti-inflammatory activity to the known anti-inflammatory agent indomethacin (HY-14397). In a carrageenin-induced rat inflammation model, DD-3305 was effective in inhibiting chronic and acute inflammation as well as induced allergies.[1].
Suppliers1 total
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Related reactions
0 records
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Compound notes
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