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Substance Name: Chloroquine 4-acetaminosalicylate
RN: 58-77-5
InChIKey: HNSHEDCTSKWTMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-Cl-N3.2C9-H9-N-O4

Molecular Weight

  • 710.224
 
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Names and Synonyms

Results Name

  • Chloroquine 4-acetaminosalicylate

Synonyms

  • 4-Acetaminosalicylate de chloroquine
  • 4-Acetaminosalicylate de chloroquine [French]
  • Chloroquine 4-acetaminosalicylate
  • Chloroquinsalz der 4-azetaminosalizylsaeure
  • Chloroquinsalz der 4-azetaminosalizylsaeure [German]

Systematic Names

  • Benzoic acid, 4-(acetylamino)-2-hydroxy-, compd. with N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine (2:1)
  • Salicylic acid, 4-acetamido-, compd. with 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline (2:1)

Registry Numbers

CAS Registry Number

  • 58-77-5

System Generated Number

  • 0000058775

Molecular Formulas

Molecular Formula

  • C18-H26-Cl-N3.2C9-H9-N-O4

Molecular Formula Fragments

  • C18-H26-Cl-N3
  • C9-H9-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26ClN3.2C9H9NO4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*2-4,12H,1H3,(H,10,11)(H,13,14)

InChIKey

HNSHEDCTSKWTMC-UHFFFAOYSA-N

Smiles

c1(ccc2c(c1)nccc2N[C@@H](CCCN(CC)CC)C)Cl.c1(cc(c(cc1)C(O)=O)O)NC(C)=O.c1(cc(c(cc1)C(O)=O)O)NC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 4gm/kg (4000mg/kg)   Medicina Experimentalis. Vol. 11, Pg. 325, 1964.