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Substance Name: 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol
RN: 85850-81-3
UNII: F88MD3A0T0
InChIKey: ZQSMVXIDYCBVDH-VYIQYICTSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C27-H29-N-O2-S.1/4H2-O

Molecular Weight

  • 431.5971
 
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Names and Synonyms

Name of Substance

  • 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol

Synonym

  • UNII-F88MD3A0T0

Systematic Name

  • Phenol, p-(3-(2-(dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)-, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 85850-81-3

FDA UNII

  • F88MD3A0T0

System Generated Number

  • 0085850813

Molecular Formulas

Molecular Formula

  • C27-H29-N-O2-S.1/4H2-O

Molecular Formula Fragments

  • C27-H29-N-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H29NO2S/c1-4-23-24-8-6-5-7-20(24)18-31-26-17-22(30-16-15-28(2)3)13-14-25(26)27(23)19-9-11-21(29)12-10-19/h5-14,17,29H,4,15-16,18H2,1-3H3/b27-23-

InChIKey

ZQSMVXIDYCBVDH-VYIQYICTSA-N

Smiles

CC/C/1=C(/c2ccc(cc2SCc3c1cccc3)OCCN(C)C)\c4ccc(cc4)O