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Substance Name: Alprenolol-nbd
RN: 98496-22-1
InChIKey: KQHAFFYCWJNDNM-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-N5-O5

Molecular Weight

  • 441.485
 
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Names and Synonyms

Name of Substance

  • Alprenolol-nbd

Synonyms

  • 7-(2-Allylphenoxy)-2,2-dimethyl-6-hydroxy-1-(7-(4-nitrobenzo-2-oxa-1,3-diazolyl))-1,4-diazaheptane
  • Alp-NBD

Systematic Names

  • 2-Propanol, 1-((2-methyl-2-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)propyl)amino)-3-(2-(2-propenyl)phenoxy)-
  • 2-Propanol, 1-((2-methyl-2-((7-nitro-4-benzofurazanyl)amino)propyl)amino)-3-(2-(2-propenyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 98496-22-1

System Generated Number

  • 0098496221

Structure Descriptors

InChI

1S/C22H27N5O5/c1-4-7-15-8-5-6-9-19(15)31-13-16(28)12-23-14-22(2,3)24-17-10-11-18(27(29)30)21-20(17)25-32-26-21/h4-6,8-11,16,23-24,28H,1,7,12-14H2,2-3H3

InChIKey

KQHAFFYCWJNDNM-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CC=C)OC[C@@H](O)CNCC(Nc1c2c(c(cc1)[N+]([O-])=O)non2)(C)C