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Substance Name: 4'-Hydroxypropranolol sulfate ester
RN: 87075-33-0
UNII: FRG22A758K
InChIKey: ODCKICSDIPVTRM-UHFFFAOYSA-N

Note

  • Propranolol urinary metabolite.

Molecular Formula

  • C16-H21-N-O6-S

Molecular Weight

  • 355.409
 
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Names and Synonyms

Name of Substance

  • 4'-Hydroxypropranolol sulfate ester

Synonyms

  • 4'-Hydroxypropranolol sulfate
  • 4-Hops
  • UNII-FRG22A758K

Systematic Name

  • 1-Naphthalenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, 1-(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 87075-33-0

FDA UNII

  • FRG22A758K

System Generated Number

  • 0087075330

Structure Descriptors

InChI

1S/C16H21NO6S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23-24(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)

InChIKey

ODCKICSDIPVTRM-UHFFFAOYSA-N

Smiles

c1(ccc(c2ccccc12)OC[C@@H](CNC(C)C)O)OS(=O)(=O)O