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Oxamniquine

CAT: 0013-GTR19203538-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203538-02Size:50 mg
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Description
Oxamniquine
CAS Number
21738-42-1
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
N (=O) (=O) C=1C=C2C (=CC1CO) CCC (CNC (C) C) N2
Molecular Formula
C14H21N3O3
Molecular Weight
279.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxamniquine

{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol is a member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively. It is a member of quinolines, an aromatic primary alcohol, a C-nitro compound and a secondary amino compound.

CAS Number21738-42-1
PubChem CID4612
IUPAC Name[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol
Molecular FormulaC14H21N3O3
Molecular Weight279.33
XLogP2.2
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity332
SMILES
CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO
InChI
InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
InChIKey
XCGYUJZMCCFSRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxamniquine
CAS: 21738-42-1
CID: 4612
Formula: C14H21N3O3
MW: 279.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.33
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass279.15829154
Monoisotopic Mass279.15829154
Topological Polar Surface Area90.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity332
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

Alternative Products

CatalogName
M21872-01Oxamniquine

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