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Isocorydine Hydrochloride

CAT: 0572-TRC-I797003-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I797003-50MGSize:50 mg
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CAS Number
13552-72-2
Synonyms
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, hydrochloride (1:1), (6aS)-; 4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, hydrochloride, (6aS)- (9CI); 4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, hydrochloride, (S)-; 6aα-Aporphin-11-ol, 1,2,10-trimethoxy-, hydrochloride (8CI); (+)-Isocorydine hydrochloride; Isocorydine hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)c2c1O
Molecular Formula
C20 H23 N O4 . Cl H
Molecular Weight
377.86
InChI
InChI=1S/C20H23NO4.ClH/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18;/h5-6,10,13,22H,7-9H2,1-4H3;1H/t13-;/m0./s1
Additionnal Information
IUPAC name: (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-11-ol;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Isocorydine hydrochloride
CAS Number13552-72-2
PubChem CID17751017
IUPAC Name(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol;hydrochloride
Molecular FormulaC20H24ClNO4
Molecular Weight377.9
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity475
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC.Cl
InChI
InChI=1S/C20H23NO4.ClH/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18;/h5-6,10,13,22H,7-9H2,1-4H3;1H/t13-;/m0./s1
InChIKey
ZWSKLEMBDRWSNZ-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Isocorydine hydrochloride
CAS: 13552-72-2
CID: 17751017
Formula: C20H24ClNO4
MW: 377.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass377.1393859
Monoisotopic Mass377.1393859
Topological Polar Surface Area51.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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