Apomorphine (data page)

This is a page of data for apomorphine.

The complete data for Apomorphine ()

General information

Chemical formula: C₁₇H₁₇N O₂
Molar mass: 267.322 ^b g·mol⁻¹
Systematic name:
5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinolin-10,11-diol (?) ^a
Synonyms:
6-methyl-6aβ-noraporphine-10,11-diol
6a-β-aporphine-10,11-diol
Apomorfin
D004
N-methylnorapomorphine

Database data

SMILES: CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O ^c
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 ^d

ATC: N04BC07

CAS: 58-00-4

DrugBank: APRD00531

EINECS: N/A

PubChem: 6005 ^e

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

IR

NMR

MS

Phase behavior

Solid properties

Liquid properties

Gas properties

Hazard properties

MSDS

N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

RTECS number:
N/A

Chemical properties

XLogP: 3.03 ^f

pI:

pK_a:

Tautomers: 18 ^g

Hydrogen bond: donor - 2 ^h; acceptor - 3 ⁱ

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

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

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