4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)

CAS Registry Number®

72716-75-7
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CAS Name

4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)

Molecular Formula

C21H27N5O2S.3ClH

Cite this Page

4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72716-75-7 (retrieved 2024-05-16) (CAS RN: 72716-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H27N5O2S.3ClH/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3;;;/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27);3*1H

InChIKey

InChIKey=YMVSCUJJVSENIP-UHFFFAOYSA-N

SMILES

C(C=1C(=O)NC(NCCSCC=2OC(CN(C)C)=CC2)=NC1)C=3C=CC(C)=NC3.Cl

Canonical SMILES

Cl.O=C1NC(=NC=C1CC2=CN=C(C=C2)C)NCCSCC=3OC(=CC3)CN(C)C

Other Names for this Substance

  • 4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)
  • 4(1H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, trihydrochloride
  • SKF 93479
  • Lupitidine hydrochloride

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