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Substance Name: 3,4-Dihydro-7-methoxy-3-phenyl-4-hydroxy-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiapyran hydrochloride
RN: 16879-01-9
UNII: 1XHI546Y1B
InChIKey: DLMLIHTZOIAPPS-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C28-H31-N-O3-S.Cl-H

Molecular Weight

  • 498.084
 
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Names and Synonyms

Name of Substance

  • 3,4-Dihydro-7-methoxy-3-phenyl-4-hydroxy-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiapyran hydrochloride

Synonym

  • UNII-1XHI546Y1B

Systematic Name

  • 2H-1-Benzothiopyran-4-ol, 3,4-dihydro-7-methoxy-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16879-01-9

FDA UNII

  • 1XHI546Y1B

System Generated Number

  • 0016879019

Molecular Formulas

Molecular Formula

  • C28-H31-N-O3-S.Cl-H

Molecular Formula Fragments

  • C28-H31-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31NO3S.ClH/c1-31-24-13-14-25-27(19-24)33-20-26(21-7-3-2-4-8-21)28(25,30)22-9-11-23(12-10-22)32-18-17-29-15-5-6-16-29;/h2-4,7-14,19,26,30H,5-6,15-18,20H2,1H3;1H

InChIKey

DLMLIHTZOIAPPS-UHFFFAOYSA-N

Smiles

c12[C@@]([C@@H](c3ccccc3)CSc1cc(OC)cc2)(c1ccc(OCC[NH+]2CCCC2)cc1)O.[ClH-]