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Substance Name: Dothiepin sulfoxide
RN: 1447-71-8
InChIKey: NBNPVRZHUPMVQS-GZTJUZNOSA-N

Note

  • Dothiepin metabolite.

Molecular Formula

  • C19-H21-N-O-S

Molecular Weight

  • 311.4469
 
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Names and Synonyms

Name of Substance

  • Dothiepin sulfoxide

Synonym

  • EINECS 215-902-1

Systematic Name

  • 3-Dibenzo(b,e)thiepin-11(6H)-ylidene-N,N-dimethylpropylamine S-oxide

Registry Numbers

CAS Registry Number

  • 1447-71-8

Related Registry Number

  • 749-48-4 (monosuccinate)

System Generated Number

  • 0001447718

Structure Descriptors

InChI

1S/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

InChIKey

NBNPVRZHUPMVQS-GZTJUZNOSA-N

Smiles

CN(C)CC\C=C\1/c2ccccc2CS(=O)c3ccccc13