4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride (1:1)

CAS Registry Number®

131740-09-5
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CAS Name

4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride (1:1)

Molecular Formula

C21H20ClNO5.ClH

Cite this Page

4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131740-09-5 (retrieved 2021-10-22) (CAS RN: 131740-09-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1

InChIKey

InChIKey=LGMSNQNWOCSPIK-LWHGMNCYSA-N

SMILES

OC=1C(=C2C(C(=O)C=C(O2)C3=C(Cl)C=CC=C3)=C(O)C1)[C@@H]4[C@H](O)CN(C)CC4.Cl

Canonical SMILES

Cl.O=C1C=C(OC=2C1=C(O)C=C(O)C2C3CCN(C)CC3O)C=4C=CC=CC4Cl

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride (1:1)
  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, hydrochloride, cis-(-)-
  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride
  • NSC 649890
  • HL 275 hydrochloride