Structure

Chloroquine diphosphate

CAS
50-63-5
Catalog Number
ACM50635-1
Category
COVID-19 Drug Raw Materials
Molecular Weight
515.86
Molecular Formula
C18H32ClN3O8P2

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Specification

Synonyms
Hydroxychlorquine sulphate
IUPAC Name
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
Canonical SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C18H26ClN3.2H3O4P/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(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
InChI Key
QKICWELGRMTQCR-UHFFFAOYSA-N
Appearance
Yellow powder

Downstream Synthesis Route 1

  • 50-63-5
  • 54-05-7

Reference: [1] Journal of Inorganic Biochemistry, 2014, vol. 133, p. 40 - 49
[2] Chemical Communications, 2014, vol. 50, # 89, p. 13765 - 13768

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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