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(R) -Hydroxychloroquine sulfate

CAT: 0926-NZD70620-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NZD70620-01Size:5 mg
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CAS Number
2488706-20-1
Smiles
CC1=CC (=CC2=C1OCC2) O
Molecular Formula
C18H28ClN3O5S
Molecular Weight
434.00 g/mol
Controlled
No

Chemical Information

2-[[(4R)-4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-ethanol, monosulfate
CAS Number2488706-20-1
PubChem CID73416236
IUPAC Name2-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethanol;sulfuric acid
Molecular FormulaC18H28ClN3O5S
Molecular Weight434.0
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
CCN(CCC[C@@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O
InChI
InChI=1S/C18H26ClN3O.H2O4S/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;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)/t14-;/m1./s1
InChIKey
JCBIVZZPXRZKTI-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of 2-[[(4R)-4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-ethanol, monosulfate
CAS: 2488706-20-1
CID: 73416236
Formula: C18H28ClN3O5S
MW: 434.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass433.1438199
Monoisotopic Mass433.1438199
Topological Polar Surface Area131 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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