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Apomorphine p-Quinone

CAT: 0572-TRC-A727530-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A727530-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24192-17-4
Synonyms
5,6-Dihydro-10-hydroxy-6-methyl-4H-dibenzo[de,g]quinoline-8,11-dione; Aporphine-8,11-dione, 6a,7-didehydro-10-hydroxy- (8CI); 5,6-Dihydro-10-hydroxy-6-methyl-4H-dibenzo[de,g]quinoline-8,11-dione; 8-OASQ; 8-Oxoapomorphine semiquinone; Apomorphine p-Quinone
Hazard Statement
Harmful if swallowed; UN number: UN2811; Packing Group: III
Smiles
CN1CCc2cccc3c4C(=O)C(=CC(=O)c4cc1c23)O
Molecular Formula
C17 H13 N O3
Molecular Weight
279.29
InChI
InChI=1S/C17H13NO3/c1-18-6-5-9-3-2-4-10-15(9)12(18)7-11-13(19)8-14(20)17(21)16(10)11/h2-4,7-8,20H,5-6H2,1H3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Apomorphine p-Quinone
CAS Number24192-17-4
PubChem CID102057257
IUPAC Name6-hydroxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione
Molecular FormulaC17H13NO3
Molecular Weight279.29
XLogP2.3
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity526
SMILES
CN1CCC2=C3C1=CC4=C(C3=CC=C2)C(=O)C(=O)C=C4O
InChI
InChI=1S/C17H13NO3/c1-18-6-5-9-3-2-4-10-15(9)12(18)7-11-13(19)8-14(20)17(21)16(10)11/h2-4,7-8,19H,5-6H2,1H3
InChIKey
AXNFTZZNUAGMDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apomorphine p-Quinone
CAS: 24192-17-4
CID: 102057257
Formula: C17H13NO3
MW: 279.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.29
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass279.08954328
Monoisotopic Mass279.08954328
Topological Polar Surface Area57.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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441684-01Apomorphine p-Quinone discontinued
441683-01Apomorphine o-Quinone discontinued
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HY-12723-01Apomorphine
441682-01(±) -Apomorphine
sc-296058APhenyl-p-quinone
Q01090-01P-Quinone dioxime
bs-82186C-01Apomorphine HCl
HY-108242-01Apomorphine (hydrochloride)
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