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Apomorphine

CAT: 0926-FA44559-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FA44559-03Size:10 mg
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CAS Number
58-00-4
MDL Number
MFCD00137578
Smiles
CN1CCC2=C3[C@H]1CC4=C (C3=CC=C2) C (=C (C=C4) O) O
Molecular Formula
C17H17NO2
Molecular Weight
267.32 g/mol
Controlled
No

Chemical Information

Apomorphine

Apomorphine is an aporphine alkaloid. It has a role as an emetic, a serotonergic drug, an antiparkinson drug, an alpha-adrenergic drug, a dopamine agonist and an antidyskinesia agent. It derives from a hydride of an aporphine.

CAS Number58-00-4
PubChem CID6005
IUPAC Name(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular FormulaC17H17NO2
Molecular Weight267.32
XLogP2.3
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity374
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C17H17NO2/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/t13-/m1/s1
InChIKey
VMWNQDUVQKEIOC-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Apomorphine
CAS: 58-00-4
CID: 6005
Formula: C17H17NO2
MW: 267.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.32
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass267.125928785
Monoisotopic Mass267.125928785
Topological Polar Surface Area43.7 Ų
Heavy Atom Count20
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12723-01Apomorphine
441682-01(±) -Apomorphine
bs-82186C-01Apomorphine HCl
HY-108242-01Apomorphine (hydrochloride)
531003Apomorphine Hydrochloride
TRC-A727495-10MG(R)-(-)-Apomorphine
GTR19154112-01R- (-) -Apomorphine
CS-O-14769Apomorphine Sulfate
463550-01(R) ​-​ (-​) ​-​Apomorphine
sc-480060(R) - (-) -Apomorphine

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