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Corytuberine

CAT: 1596-AR-C03632-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03632-06Size:250 Units
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CAS Number
517-56-6
Synonyms
(S) -2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de, g]quinoline-1,11-diol; (6aS) -5,6,6a,7-Tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de, g]quinoline-1,11-diol; 2,10-Dimethoxy-6a?-aporphine-1,11-diol; (+) -Corytuberine; (S) -Corytuberine; 1,11-Dihydroxy-2,10-dimethoxy-6a?-aporphine
Molecular Formula
C19H21NO4
Molecular Weight
327.38
API Name
Corydine

Chemical Information

(+)-Corytuberine

(S)-corytuberine is an aporphine alkaloid that is aporphine which is substituted by hydroxy groups at positions 1 and 11, and by methoxy groups at positions 2 and 10 (the S enantiomer). It has a role as a plant metabolite. It is an aporphine alkaloid, a polyphenol, an aromatic ether, an organic heterotetracyclic compound and a tertiary amino compound.

CAS Number517-56-6
PubChem CID160500
IUPAC Name(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol
Molecular FormulaC19H21NO4
Molecular Weight327.4
XLogP2.2
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity461
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC
InChI
InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
InChIKey
WHFUDAOCYRYAKQ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Corytuberine
CAS: 517-56-6
CID: 160500
Formula: C19H21NO4
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass327.14705815
Monoisotopic Mass327.14705815
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
268692-01Corytuberine
TRC-C697520-25MGCorytuberine Methiodide

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