8-(6-Diethylaminohexylamino)-6-methoxy-4-methylquinoline dihydrochloride
Basic information
- CAS
5330-29-0- Standard SMILES
CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12.Cl.Cl- InChIKey
AFMFKGVIHLNIEO-UHFFFAOYSA-N- Molecular formula
- C21H35Cl2N3O
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.2157181
Names & identifiers
- Preferred name
- 8-(6-Diethylaminohexylamino)-6-methoxy-4-methylquinoline dihydrochloride
- IUPAC
- N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;dihydrochloride
- English name
- N,N-diethyl-N'-(6-methoxy-4-methyl-8-quinolyl)hexane-1,6-diamine dihydrochloride
- Molecular formula
- C21H34ClN3O
- Molecular weight
- 379.97
Names & synonyms
8-(6-Diethylaminohexylamino)-6-methoxy-4-methylquinoline dihydrochlorideRefChem:822312sitamaquine dihydrochlorideWR 6026 dihydrochloride5330-29-0ASU02O7NS8Sitamaquine HClNSC-2452N,N-Diethyl-N'-(6-methoxy-4-methyl-8-quinolyl)hexane-1,6-diamine dihydrochlorideNSC 2452EINECS 226-224-0UNII-ASU02O7NS8
Show more names
WR-006026Sitamaquine hydrochloride1,6-Hexanediamine,N1,N1-diethyl-N6-(6-methoxy-4-methyl-8-quinolinyl)-, hydrochloride (1:2)
WR 29606AI3-24061N,N-Diethyl-N(sup 1)-(6-methoxy-4-methyl-8-quinolinyl)-1,6-hexanediamine dihydrochlorideorb2802556SCHEMBL1267745CHEMBL3142235WR-6026 DIHYDROCHLORIDEAFMFKGVIHLNIEO-UHFFFAOYSA-N
Database identifiers
- CAS
5330-29-0- PubChem CID
- 73340
- ChEMBL
CHEMBL3142235- UNII
- ASU02O7NS8
- EC Number
- 226-224-0
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 179 · 179-180°
- FDA UNII
- 2 O7NS8 · ASU02O7NS8
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 318 · H318-H317-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H318-H317-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesSitamaquine (WR6026) hydrochloride, an orally active 8-aminoquinoline analog, is an antileishmanial agent. Sitamaquine hydrochloride inhibits mitochondrial complex II (succinate dehydrogenase). Sitamaquine hydrochloride is a lipophilic weak base that rapidly accumulates in acidic compartments of Leishmania spp., mainly in acidocalcisomes[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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