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Desethyl Chloroquine-d4

CAT: 0572-TRC-D288737-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288737-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189971-72-9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(CC(C)Nc1ccnc2cc(Cl)ccc12)C([2H])([2H])NCC
Molecular Formula
C16H18D4ClN3
Molecular Weight
295.84
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Desethyl Chloroquine-d4
CAS Number1189971-72-9
PubChem CID46781116
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1,1,2,2-tetradeuterio-1-N-ethylpentane-1,4-diamine
Molecular FormulaC16H22ClN3
Molecular Weight295.84
XLogP3.8
Topological Polar Surface Area37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity274
SMILES
[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])NCC
InChI
InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)/i4D2,9D2
InChIKey
MCYUUUTUAAGOOT-AUHPCMSFSA-N
Chemical Structure
2D Structure
2D structure of Desethyl Chloroquine-d4
CAS: 1189971-72-9
CID: 46781116
Formula: C16H22ClN3
MW: 295.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.84
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass295.1753324
Monoisotopic Mass295.1753324
Topological Polar Surface Area37 Ų
Heavy Atom Count20
Formal Charge0
Complexity274
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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Alternative Products

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HY-135811SDesethyl chloroquine-d4
001332N-Acetyl Desethyl Chloroquine-d4
MBS5766478Desethyl chloroquine
HY-135811S1-01Desethyl chloroquine-d5
AR-C02464-01Desethyl Chloroquine HBr
HY-135811RDesethyl chloroquine (Standard)
AR-C02469-01Desethyl Hydroxy Chloroquine
XJA91276-01Desethyl chloroquine (diphosphate)
T11001LDesethyl chloroquine diphosphate
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