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Substance Name: 1''-Dehydropenbutolol 2-glucuronide
RN: 112174-10-4
InChIKey: VMDJVJJOOJMSID-IOBJNWKSSA-N

Molecular Formula

  • C24-H37-N-O9

Molecular Weight

  • 483.554
 
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Names and Synonyms

Results Name

  • 1''-Dehydropenbutolol 2-glucuronide

Synonym

  • 1''-Dehydropenbutolol 2-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 3-cyclopentyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl, (S)-

Registry Numbers

CAS Registry Number

  • 112174-10-4

System Generated Number

  • 0112174104

Structure Descriptors

InChI

1S/C24H37NO9/c1-22(2,3)25-13-16(26)14-32-24(31)19(20(28)29)34-21(33-17-11-5-4-6-12-17)18(27)23(24,30)15-9-7-8-10-15/h4-6,11-12,15-16,18-19,21,25-27,30-31H,7-10,13-14H2,1-3H3,(H,28,29)/t16-,18-,19+,21+,23+,24-/m0/s1

InChIKey

VMDJVJJOOJMSID-IOBJNWKSSA-N

Smiles

O([C@H]1[C@H](O)[C@@](O)([C@](O)([C@H](O1)C(=O)O)OC[C@H](CNC(C)(C)C)O)C1CCCC1)c1ccccc1