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(S) -Hydroxychloroquine

CAT: 0013-GTR19204883-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204883-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -Hydroxychloroquine
CAS Number
137433-24-0
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
N ([C@H] (CCCN (CCO) CC) C) C=1C2=C (N=CC1) C=C (Cl) C=C2
Molecular Formula
C18H26ClN3O
Molecular Weight
335.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydroxychloroquine, (S)-
CAS Number137433-24-0
PubChem CID178396
IUPAC Name2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethanol
Molecular FormulaC18H26ClN3O
Molecular Weight335.9
XLogP3.6
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity331
SMILES
CCN(CCC[C@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
InChI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKey
XXSMGPRMXLTPCZ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine, (S)-
CAS: 137433-24-0
CID: 178396
Formula: C18H26ClN3O
MW: 335.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.9
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass335.1764402
Monoisotopic Mass335.1764402
Topological Polar Surface Area48.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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