Basic information
- CAS
525-61-1- Standard SMILES
COc1cc(NCCCC(C)N)c2ncccc2c1- InChIKey
NBAFIBBHADOTMU-UHFFFAOYSA-N- Molecular formula
- C15H21N3O
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.1684623
Overview
Russian drug; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Quinocide
- IUPAC
- 1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
- English name
- Quinocide
- Molecular formula
- C15H21N3O
- Molecular weight
- 259.35
Names & synonyms
Quinocide525-61-1ChinocideQuinocidaQuinocidumDTXSID5045706NSC-50986CNG7995Y4B8-(4-Aminopentylamino)-6-methoxyquinolineDTXCID30257068-((4-Aminopentyl)amino)-6-methoxyquinolineNSC50986
Show more names
KhinocydePrimaquine USP RC APriMaquine Related CoMpound APrimaquine Phosphate ImpurityN1-(6-Methoxyquinolyl)-1,4-pentanediamine4-aminopentyl-(6-methoxy-8-quinolyl)aminePrimaquine Phosphate Impurity Ⅰ: Quinocide8-[(4-Aminopentyl)amino]-6-methoxyquinoline
RefChem:871962N1-(6-methoxyquinolin-8-yl)pentane-1,4-diamineQuinocide [INN]N1-(6-methoxy-8-quinolinyl)-1,4-pentanediamine1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamineN1-(6-Methoxy-8-quinolyl)-1,4-pentanediamineNSC 50986N~1~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
Database identifiers
- CAS
525-61-1- PubChem CID
- 68928
- DTXSID
DTXSID5045706- ChEMBL
CHEMBL468403- UNII
- CNG7995Y4B
- EC Number
- 109-787-6
- Nikkaji
- J6.652D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 46 ° · 46°
- Boiling point
- 1 · bp1 183-186°
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.73 · 10.73±0.35(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3
- InChIKey
- NBAFIBBHADOTMU-UHFFFAOYSA-N
- SMILES
- N(CCCC(N)C)c1c2ncccc2cc(c1)OC
- FDA UNII
- 7995 Y4B · CNG7995Y4B
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P330+P331+P310
- RIDADR
- 1544 PSN1 · UN 1544PSN1 6.1 / PGIII
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2933497050 · 2933497050
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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]
P264, P270, P301+P316, P321, P330, 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
- wgk
- WGK 3
- ridadr
- UN 1544PSN1 6.1 / PGIII
- hs_code
- 2933497050
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P330+P331+P310
Chemistry & industry
Applications
UsesQuinocide is an impurity of Primaquine (P733505). Primaquine is an important antimalarial drug.
Suppliers9 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
四川普西奥标物科技有限公司19150123681 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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