Chloroquine diorotate
Basic information
- CAS
16301-30-7- Standard SMILES
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1- InChIKey
IUEFAROUKVNKKL-UHFFFAOYSA-N- Molecular formula
- C28H34ClN7O8
- Average molar mass
- 632.1 g/mol
- Monoisotopic mass
- 631.2157388
Names & identifiers
- Preferred name
- Chloroquine diorotate
- IUPAC
- 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid)
- English name
- 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid, compound with N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine (2:1)
- Molecular formula
- C18H26ClN3.2C5H4N2O4
- Molecular weight
- 0
Names & synonyms
Chloroquine diorotate16301-30-71RO28BA0DO1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate)RefChem:125505240-389-6KidolaKidora4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;2,4-dioxo-1H-pyrimidine-6-carboxylic acidEINECS 240-389-6UNII-1RO28BA0DODTXSID00936779
Show more names
Orotic acid, compd. with 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline (2:1)1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, bis(1,2 ,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate)1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid compd. with N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine (2:1)1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid, compound with N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine (2:1)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)
CHLOROQUINE DIOROTATE [WHO-DD]Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, orotate (1:2)1,2,3,6-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid, compoundwith N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine (2 :1)Q272528072,6-Dihydroxypyrimidine-4-carboxylic acid--N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (2/1)
Database identifiers
- CAS
16301-30-7- PubChem CID
- 83835
- DTXSID
DTXSID00936779- UNII
- 1RO28BA0DO
- EC Number
- 240-389-6
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 RO28BA0DO · 1RO28BA0DO
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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