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Didesethyl chloroquine hydroxyacetamide-d4

CAT: 0804-HY-W740567-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W740567-01Size:1 mg
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Description
Didesethyl chloroquine hydroxyacetamide-d4 is the deuterium labeled Didesethyl Chloroquine Hydroxyacetamide.
CAS Number
1216956-86-3
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C(CC(NC1=C2C=CC(Cl)=CC2=NC=C1)C)(C([2H])(NC(CO)=O)[2H])[2H]
Molecular Formula
C16H16D4ClN3O2
Molecular Weight
325.83
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Didesethyl Chloroquine Hydroxyacetamide-d4
CAS Number1216956-86-3
PubChem CID46781268
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]-2-hydroxyacetamide
Molecular FormulaC16H20ClN3O2
Molecular Weight325.82
XLogP2.5
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])NC(=O)CO
InChI
InChI=1S/C16H20ClN3O2/c1-11(3-2-7-19-16(22)10-21)20-14-6-8-18-15-9-12(17)4-5-13(14)15/h4-6,8-9,11,21H,2-3,7,10H2,1H3,(H,18,20)(H,19,22)/i2D2,7D2
InChIKey
MJFOIOWFYPCSSQ-BRVWLQDISA-N
Chemical Structure
2D Structure
2D structure of Didesethyl Chloroquine Hydroxyacetamide-d4
CAS: 1216956-86-3
CID: 46781268
Formula: C16H20ClN3O2
MW: 325.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.82
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass325.1495116
Monoisotopic Mass325.1495116
Topological Polar Surface Area74.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
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

Related Products

CatalogName
HY-100662SDidesethyl chloroquine-d4
HY-100662-01Didesethyl chloroquine
HY-135811SDesethyl chloroquine-d4
HY-17589S1-01Chloroquine-d4 (phosphate)
HY-17589A-01Chloroquine
HY-W614112(-) -Chloroquine
HY-156862(+) -Chloroquine
HY-17589-01Chloroquine (phosphate)
HY-135811Desethyl chloroquine
HY-17589AS-01Chloroquine-d5

Alternative Products

CatalogName
sc-218188Didesethyl Chloroquine Hydroxyacetamide-d4
TRC-D440980-10MGDidesethyl Chloroquine Hydroxyacetamide
MBS6089349-01Didesethyl Chloroquine-d4
TRC-A440946-200MGN-Acetyl Didesethyl Chloroquine-d4
009372Didesethyl Chloroquine

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