Apomorphine (data page)

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The complete data for Apomorphine

Image:Hight_setter_449px.gifThe structure of 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
 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
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: 3.03 [1] pI: ? pKa: ? 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)


[edit] References

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

[edit] External links

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