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Home> Encyclopedia > Hot Product Listed 6   > 6-Isoquinolinol,decahydro-5,8a-dimethyl-2-(1-oxododecyl)-, (4aS,5S,6S,8aS)- (9CI)
914087-69-7 structure

6-Isoquinolinol,decahydro-5,8a-dimethyl-2-(1-oxododecyl)-, (4aS,5S,6S,8aS)- (9CI)

Iupac Name:1H-imidazo[4,5-b]pyridin-2-ylmethanamine;dihydrochloride
CAS No.:914087-69-7
Molecular Weight:221.085
Molecular Formula:C22H26O7 (isomer)
Names and Identifiers
Synonyms

(4as,4aalpha,8abeta)-5alpha,8a-dimethyl-2-(1-oxododecyl)decahydroisoquinolin-6beta-ol 1-((4as,5s,6s,8as)-6-hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2-yl)-dodecan-1-one 1-(6-hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2-yl)-dodecan-1-one 1-[(4as,5s,6s,8as)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one 1-[(4as,5s,6s,8as)-6-hydroxy-5,8a-dimethyl-octahydroisoquinolin-2-yl]dodecan-1-one 6-isoquinolinol, decahydro-5,8a-dimethyl-2-(1-oxododecyl)-, (4as-(4aalpha,5alpha,6bta,8abeta))- 6-Isoquinolinol,decahydro-5,8a-dimethyl-2-(1-oxododecyl)-, [4aS-(4aa,5a,6b,8ab)]- AC1L2QV6 bdbm50003025 chembl17168 LP074435 n-(1-oxododecyl)-4,10-dimethyl-8-azadecal-3-ol n-(1-oxododecyl)-4alpha,10-dimethyl-8-aza-trans-decal-3beta-ol offado

Inchi
InChI=1S/C7H8N4.2ClH/c8-4-6-10-5-2-1-3-9-7(5)11-6;;/h1-3H,4,8H2,(H,9,10,11);2*1H
InChkey
KJFFIGNFXRXQJG-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(N=C1)N=C(N2)CN.Cl.Cl
Properties
Flash Point
333.5°C
Computational chemical data
  • Molecular Weight:221.085g/mol
  • Molecular Formula:C22H26O7
  • Compound Is Canonicalized:True
  • Exact Mass:220.028
  • Monoisotopic Mass:220.028
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67.6A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADccBjgAAGAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAACAjBFwQ98L7JkACg ATZnZACCgC2xEqAJ2aA4dJiIaOLAmZGUIAhokALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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