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3,7-Dichloro Hydroxychloroquine

CAT: 0572-TRC-D432525-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D432525-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2054858-86-3
Synonyms
2-((4-((3,7-Dichloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCN(CCO)CCCC(NC1=C2C=CC(Cl)=CC2=NC=C1Cl)C
Molecular Formula
C18H25Cl2N3O
Molecular Weight
370.32
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,7-Dichloro Hydroxychloroquine
CAS Number2054858-86-3
PubChem CID124117361
IUPAC Name2-[4-[(3,7-dichloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.3
XLogP4.2
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity361
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1Cl)Cl)CCO
InChI
InChI=1S/C18H25Cl2N3O/c1-3-23(9-10-24)8-4-5-13(2)22-18-15-7-6-14(19)11-17(15)21-12-16(18)20/h6-7,11-13,24H,3-5,8-10H2,1-2H3,(H,21,22)
InChIKey
WWGAQQQGEPLEOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dichloro Hydroxychloroquine
CAS: 2054858-86-3
CID: 124117361
Formula: C18H25Cl2N3O
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.3
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass369.1374678
Monoisotopic Mass369.1374678
Topological Polar Surface Area48.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-H07730-01Hydroxychloroquine Impurity 7
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HY-W031727-01Hydroxychloroquine
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OR281743,5-dichloro-7-iodochromane
PC4045973,4-Dichloro-7-fluoroquinoline
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