D7V

(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine

Created: 2011-05-25
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count12
2D diagram of D7V

Chemical Component Summary

Name(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine
Systematic Name (OpenEye OEToolkits)(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine
FormulaC19 H21 N O
Molecular Weight279.376
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O3c1ccccc1/C(c2c(cccc2)C3)=C\CCN(C)C
SMILESCACTVS3.370CN(C)CCC=C1c2ccccc2COc3ccccc13
SMILESOpenEye OEToolkits1.7.2CN(C)CCC=C1c2ccccc2COc3c1cccc3
Canonical SMILESCACTVS3.370 CN(C)CC\C=C1\c2ccccc2COc3ccccc13
Canonical SMILESOpenEye OEToolkits1.7.2 CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
InChIInChI1.03 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
InChIKeyInChI1.03 ODQWQRRAPPTVAG-BOPFTXTBSA-N

Drug Info: DrugBank

DrugBank IDDB14750 
NameCidoxepin
Groups experimental
Synonyms
  • (Z)-Doxepin
  • Cidoxepinum
  • Cidoxepina
  • Cidoxepin
  • Cidoxepin hydrochloride
CAS number3607-18-9

Related Resource References

Resource NameReference
Pharos CHEMBL101740
PubChem 667468
ChEMBL CHEMBL101740
ChEBI CHEBI:36691, CHEBI:4710