Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochloride

HCID 44920

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Basic information

CAS: 63883-13-6
Standard SMILES: CC[NH+](CC)CCOC(=O)Cc1ccc2c(c1)OCc1ccccc1C2=O.[Cl-]
InChIKey: YQYGOPWDCVUEGQ-UHFFFAOYSA-N
Molecular formula: C22H26ClNO4
Average molar mass: 403.9 g/mol
Monoisotopic mass: 403.155036

Names & identifiers

Preferred name: Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochloride
IUPAC: diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride

Names & synonyms

63883-13-6N,N-Diethylaminoethyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetate hydrochlorideDibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochlorideRefChem:337002

Database identifiers

CAS: 63883-13-6
PubChem CID: 44920

Properties

Computed structural properties

Topological polar surface area: 57 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 505

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