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Home> Hot Product Listed S   > STOCK7S-10128
1384429-57-5 structure

STOCK7S-10128

Iupac Name:5,7-dichloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS No.:1384429-57-5
Molecular Weight:252.563
Molecular Formula:C18H15F3N4O4S (isomer)
Names and Identifiers
Synonyms

6-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamido]hexanoic acid 6-{[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3h)-yl)acetyl]amino}hexanoic acid AKOS005755354 BG00649862 MCULE-2371562571 MOLPORT-009-652-590 STL155552 ZINC49550023

Inchi
InChI=1S/C10H11Cl2N.ClH/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;/h4-6,13H,2-3H2,1H3;1H
InChkey
HQYMFAPBRZAZFC-UHFFFAOYSA-N
Canonical Smiles
CC1C2=CC(=CC(=C2CCN1)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/mol
  • Molecular Formula:C18H15F3N4O4S
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:186
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAIQAAAADCrBGCQyAILAAACA AiBCAACCAAAgBQAAiIAIBogIICKBkxGEIAhgkACIiAcQgIAOhAAAIACRAAAIAABAASIAAAAAAAAA AA==
 
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