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CAS 136465-81-1

:

(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide

Description:
The chemical substance known as (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide, with the CAS number 136465-81-1, is a member of the isoquinoline family, characterized by its complex bicyclic structure. This compound features a decahydroisoquinoline backbone, which contributes to its unique three-dimensional conformation and potential biological activity. The presence of the N-(1,1-Dimethylethyl) substituent indicates that it has a bulky tert-butyl group, which may influence its solubility and interaction with biological targets. The stereochemistry, denoted by the (3S,4aS,8aS) configuration, suggests specific spatial arrangements of atoms that can significantly affect the compound's pharmacological properties. Generally, compounds of this nature are investigated for their potential therapeutic applications, particularly in the fields of neuropharmacology and medicinal chemistry, due to their ability to interact with various receptors in the central nervous system. Further studies would be necessary to elucidate its specific biological activities and potential uses in drug development.
Formula:C14H26N2O
InChI:InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
InChI key:InChIKey=UPZBXVBPICTBDP-TUAOUCFPSA-N
SMILES:C(NC(C)(C)C)(=O)[C@@H]1C[C@]2([C@@](CN1)(CCCC2)[H])[H]
Synonyms:
  • (3S,4aS,8aR)-3-(tert-butylcarbamoyl)decahydroisoquinolinium
  • (3S,4aS,8aR)-N-tert-Butyldecahydroisoquinoline-3-carboxamide
  • (3S,4aS,8aS)-3-(tert-butylcarbamoyl)decahydroisoquinolinium
  • (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid tert-butylamide
  • (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide
  • (3S,4aS,8aS)-N-tert-butyldecahydroisoquinoline-3-carboxamide
  • (S,S,S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide
  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, [3S-(3α,4aβ,8aβ)]-
  • N-Tert-Butyl Decahydroisoquinoline-3(S)-Carboxamide
  • See more synonyms
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