Apomorphine (data page)

This is a page of data for apomorphine.

The complete data for Apomorphine

General information

Chemical formula: C17H17NO2 
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/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: 3.03 fpI: pKa: Tautomers: 18 gHydrogen bond: donor - 2 h;  acceptor - 3 i
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

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