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(-) -Apomorphine hydrochloride hydrate

CAT: 0127-BUP22262-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22262-01Size:5 mg
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CAS Number
58117-94-5
MDL Number
MFCD00150904
Purity
=95%

Chemical Information

Apomorphine Hydrochloride Hemihydrate

A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. [PubChem]

CAS Number58117-94-5
PubChem CID6852399
IUPAC Name(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
Molecular FormulaC17H20ClNO3
Molecular Weight321.8
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity374
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl
InChI
InChI=1S/C17H17NO2.ClH.H2O/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;/h2-6,13,19-20H,7-9H2,1H3;1H;1H2/t13-;;/m1../s1
InChIKey
DQQCJDBYNZMPOA-FFXKMJQXSA-N
Chemical Structure
2D Structure
2D structure of Apomorphine Hydrochloride Hemihydrate
CAS: 58117-94-5
CID: 6852399
Formula: C17H20ClNO3
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass321.1131712
Monoisotopic Mass321.1131712
Topological Polar Surface Area44.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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