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Substance Name: 5-Carboxybupranolol
RN: 42242-69-3
InChIKey: QNYWJTMYNAJZTQ-UHFFFAOYSA-N

Note

  • Bupranolol major metabolite.

Molecular Formula

  • C14-H20-Cl-N-O4

Molecular Weight

  • 301.768
 
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Names and Synonyms

Name of Substance

  • 5-Carboxybupranolol

Synonym

  • 1-tert-Butylamino-3-(2-chloro-5-carboxyphenoxy)propan-2-ol

Systematic Name

  • Benzoic acid, 4-chloro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-

Registry Numbers

CAS Registry Number

  • 42242-69-3

System Generated Number

  • 0042242693

Structure Descriptors

InChI

1S/C14H20ClNO4/c1-14(2,3)16-7-10(17)8-20-12-6-9(13(18)19)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3,(H,18,19)

InChIKey

QNYWJTMYNAJZTQ-UHFFFAOYSA-N

Smiles

CC(C)(C)NCC(COc1cc(ccc1Cl)C(=O)O)O