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Didesethyl Chloroquine Hydroxyacetamide

CAT: 0572-TRC-D440980-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D440980-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1159977-30-6
Synonyms
4-(4'-Glycolamidyl-1'-methyl-3,4-butylamino)-7-chloroquinoline
Hazard Statement
No Data Available
Smiles
CC(CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12
Molecular Formula
C16 H20 Cl N3 O2
Molecular Weight
321.8
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)
Additionnal Information
IUPAC name: N-[4-[(7-chloro-4-quinolyl)amino]pentyl]-2-hydroxy-acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Didesethyl Chloroquine Hydroxyacetamide
CAS Number1159977-30-6
PubChem CID46781267
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
Molecular FormulaC16H20ClN3O2
Molecular Weight321.80
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
CC(CCCNC(=O)CO)NC1=C2C=CC(=CC2=NC=C1)Cl
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)
InChIKey
MJFOIOWFYPCSSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Didesethyl Chloroquine Hydroxyacetamide
CAS: 1159977-30-6
CID: 46781267
Formula: C16H20ClN3O2
MW: 321.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.80
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass321.1244046
Monoisotopic Mass321.1244046
Topological Polar Surface Area74.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
Isotope Atom Count0
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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