Chloroquine diorotate

CAS Registry Number®

16301-30-7
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CAS Name

Chloroquine diorotate

Molecular Formula

C18H26ClN3.2C5H4N2O4

Cite this Page

Chloroquine diorotate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16301-30-7 (retrieved 2024-04-24) (CAS RN: 16301-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H26ClN3.C5H4N2O4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;8-3-1-2(4(9)10)6-5(11)7-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);1H,(H,9,10)(H2,6,7,8,11)

InChIKey

InChIKey=LZHWAIIRNOTUEG-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(=O)NC(=O)N1.N(C(CCCN(CC)CC)C)C=1C2=C(N=CC1)C=C(Cl)C=C2

Canonical SMILES

O=C(O)C1=CC(=O)NC(=O)N1.ClC=1C=CC=2C(=NC=CC2NC(C)CCCN(CC)CC)C1

Other Names for this Substance

  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, compd. with N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine (2:1)
  • Orotic acid, compd. with 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline (2:1)
  • Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-, orotate (1:2)
  • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate)
  • Chloroquine diorotate

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