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Didesethyl Chloroquine-D4

CAT: 0572-TRC-D440962-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D440962-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215797-41-3
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(N)C([2H])([2H])CC(C)Nc1ccnc2cc(Cl)ccc12
Molecular Formula
C14H14D4ClN3
Molecular Weight
267.79
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Didesethyl Chloroquine-d4
CAS Number1215797-41-3
PubChem CID46781264
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1,1,2,2-tetradeuteriopentane-1,4-diamine
Molecular FormulaC14H18ClN3
Molecular Weight267.79
XLogP2.9
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity249
SMILES
[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])N
InChI
InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)/i2D2,7D2
InChIKey
GYEDIFVVTRKXHP-BRVWLQDISA-N
Chemical Structure
2D Structure
2D structure of Didesethyl Chloroquine-d4
CAS: 1215797-41-3
CID: 46781264
Formula: C14H18ClN3
MW: 267.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.79
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass267.1440323
Monoisotopic Mass267.1440323
Topological Polar Surface Area50.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity249
Isotope Atom Count4
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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