Apomorphine (data page)

The complete data for Apomorphine

General information

Chemical formula: C₁₇H₁₇NO₂
Molar mass: 267.322 ^[1] g·mol^-1
Systematic name:
5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinolin-10,11-diol (?) ^[1]
Synonyms:
6-methyl-6aβ-noraporphine-10,11-diol
6a-β-aporphine-10,11-diol
Apomorfin
A4393
D004
N-methylnorapomorphine

Database data

SMILES: CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O ^[1]
InChI=1/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 ^[1]

ATC: N04BC07

CAS: 58-00-4

DrugBank: APRD00531

EINECS: N/A

PubChem: 6005 ^[1]

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

NMR

Phase behavior

Solid properties

Liquid properties

Gas properties

Hazard properties

MSDS N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

R/S statement

R: N/A
S: N/A

RTECS number:
N/A

Chemical properties

XLogP: 3.03 ^[1]

pI: ?

pK_a: ?

Tautomers: 18 ^[1]

Hydrogen bond: donor - 2 ^[1]; acceptor - 3 ^[1];

Pharmacological properties

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Additional recommended knowledge

References

^a ^b ^c ^d ^e ^f ^g ^h ⁱ CID 6005 from PubChem

v • d • e Anti-parkinson drugs: dopaminergic agents (N04B)
Dopa and derivatives	Levodopa, Melevodopa, Etilevodopa
Adamantane derivatives	Amantadine
Dopamine agonists	Apomorphine, Bromocriptine, Cabergoline, Dihydrexidine, Dihydroergocryptine mesylate, Fenoldopam, Lisuride, Pergolide, Piribedil, Pramipexole, Quinpirole, Ropinirole, Rotigotine, SKF 38393, SKF 82958
MAOIs	Selegiline, Rasagiline
Other	Tolcapone, Entacapone, Budipine