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Substance Name: 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol
RN: 85850-90-4
UNII: QP590C0L4U
InChIKey: ZGXGFEVDBDINAN-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C25-H24-O3-S.1/2C3-H8-O

Molecular Weight

  • 404.5276
 
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Names and Synonyms

Name of Substance

  • 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol

Synonym

  • UNII-QP590C0L4U

Systematic Name

  • 1,2-Propanediol, 3-((10-ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)-, compd. with isopropyl alcohol (2:1)

Registry Numbers

CAS Registry Number

  • 85850-90-4

FDA UNII

  • QP590C0L4U

System Generated Number

  • 0085850904

Molecular Formulas

Molecular Formula

  • C25-H24-O3-S.1/2C3-H8-O

Molecular Formula Fragments

  • C25-H24-O3-S
  • C3-H8-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H24O3S/c1-2-20-21-10-6-7-11-23(21)29-24-14-19(28-16-18(27)15-26)12-13-22(24)25(20)17-8-4-3-5-9-17/h3-14,18,26-27H,2,15-16H2,1H3

InChIKey

ZGXGFEVDBDINAN-UHFFFAOYSA-N

Smiles

CCC1=C(c2ccc(cc2Sc3c1cccc3)OCC(CO)O)c4ccccc4