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Noscapine N-Oxide HCl

CAT: 1596-AR-N08968-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08968-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201015-28-3
Synonyms
(5R) -5- ((S) -4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl) -4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline 6-oxide, hydrochloride (1:1)
Molecular Formula
C22H23NO8. HCl
Molecular Weight
429.43 36.46
API Name
Noscapine

Chemical Information

Noscapine N-Oxide Hydrochloride
CAS Number201015-28-3
PubChem CID71503670
IUPAC Name(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one;hydrochloride
Molecular FormulaC22H24ClNO8
Molecular Weight465.9
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity692
SMILES
C[N+]1(CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3)[O-].Cl
InChI
InChI=1S/C22H23NO8.ClH/c1-23(25)8-7-11-9-14-20(30-10-29-14)21(28-4)15(11)17(23)18-12-5-6-13(26-2)19(27-3)16(12)22(24)31-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+,23?;/m1./s1
InChIKey
NBUGJFAWLMEDRD-SQYDCFKDSA-N
Chemical Structure
2D Structure
2D structure of Noscapine N-Oxide Hydrochloride
CAS: 201015-28-3
CID: 71503670
Formula: C22H24ClNO8
MW: 465.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass465.1190444
Monoisotopic Mass465.1190444
Topological Polar Surface Area90.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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