Cloquinate
Basic information
- CAS
7270-12-4- Standard SMILES
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)c1cc(I)c(O)c2ncccc12.O=S(=O)(O)c1cc(I)c(O)c2ncccc12- InChIKey
USABWIQJRBGMKQ-UHFFFAOYSA-N- Molecular formula
- C36H38ClI2N5O8S2
- Average molar mass
- 1,022.1 g/mol
- Monoisotopic mass
- 1,020.99398
Names & identifiers
- Preferred name
- Cloquinate
- IUPAC
- 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;bis(8-hydroxy-7-iodoquinoline-5-sulfonic acid)
- English name
- cloquinate
- Molecular formula
- C36H38ClI2N5O8S2
- Molecular weight
- 1022.10756
Names & synonyms
CloquinateClochinatumCloquinatoCloquinatum7270-12-4KI24A9FF7SCloquinate [INN:BAN]CLOQUINATE [INN]Cloquinatum [INN-Latin]Cloquinato [INN-Spanish]UNII-KI24A9FF7SEINECS 230-689-5
Show more names
Clochinate8-Hydroxy-7-iodo-5-quinolinesulfonic acid compd. with chloroquine
Cloquinatum (INN-Latin)Cloquinato (INN-Spanish)7-Chloro-4-((4-diethylamino-1-methylbutyl)amino)quinoline di(8-hydroxy-7-iodo-5-quinolinesulfonate)8-HYDROXY-7-IODO-5-QUINOLINESULFONIC ACID COMPD WITH CHLOROQUINE (2:1)8-HYDROXY-7-IODO-5-QUINOLINESULFONIC ACID COMPD WITH CHLOROQUINE (2:1) [MI]7-CHLORO-4-((4-DIETHYLAMINO-1-METHYLBUTYL)AMINO)QUINOLINE DI(8-HYDROXY-7-IODO-5-QUINOLINESULPHONATE)RefChem:127090230-689-5
Database identifiers
- CAS
7270-12-4- PubChem CID
- 71670
- DTXSID
DTXSID40993523- UNII
- KI24A9FF7S
- EC Number
- 230-689-5
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- FDA UNII
- 24 A9FF7S · KI24A9FF7S
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Related reactions
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Compound notes
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