Product Name

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  • Name

    nicocodine

  • EINECS
  • CAS No. 3688-66-2
  • Density 1.36g/cm3
  • Solubility
  • Melting Point 134.5°C
  • Formula C24H24 N2 O4
  • Boiling Point 549.7°Cat760mmHg
  • Molecular Weight 404.466
  • Flash Point 286.3°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. See also CODEINE. An addictive drug. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3688-66-2 (nicocodine)
  • Hazard Symbols
  • Synonyms Codeinenicotinate (6CI,7CI); Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-,3-pyridinecarboxylate (ester), (5a,6a)- (9CI); Morphinan-6a-ol, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methyl-,nicotinate (ester) (8CI); Lyopect; Nicocodine; Nicotinic acid,7,8-didehydro-4,5a-epoxy-3-methoxy-17-methylmorphinan-6a-yl ester; RC 146
  • PSA 60.89000
  • LogP 2.69870

Codeine, nicotinate (ester) Chemical Properties

Molecule structure of Codeine, nicotinate (ester) (CAS NO.3688-66-2):

Molecular Weight: 404.45836 g/mol
Molecular Formula: C24H24N2O4 
Density: 1.36 g/cm3 
Boiling Point: 549.7 °C at 760 mmHg 
Flash Point: 286.3 °C
Index of Refraction: 1.667
Molar Refractivity: 110.32 cm3
Molar Volume: 296.1 cm3
Polarizability: 43.73×10-24 cm3
Surface Tension: 64.4 dyne/cm 
Enthalpy of Vaporization: 82.96 kJ/mol
Vapour Pressure: 3.9E-12 mmHg at 25 °C
XLogP3: 2.3
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Exact Mass: 404.173607
MonoIsotopic Mass: 404.173607
Topological Polar Surface Area: 60.9
Heavy Atom Count: 30
Complexity: 728
Defined Atom StereoCenter Count: 5 
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OC(=O)C6=CN=CC=C6
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC(=O)6=
CN=CC=C6
InChI: InChI=1S/C24H24N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3/t16-,17+,19-,22-,24-/m0/s1
InChIKey: RYBGRHAWFUVMST-MJFIPZRTSA-N
EINECS: 222-990-5 
Classification Code of Codeine, nicotinate (ester) (CAS NO.3688-66-2): Antitussive

Codeine, nicotinate (ester) Toxicity Data With Reference

1.    

ipr-rat LD50:37 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 143 (1963),466.
2.    

orl-rat LD50:840 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 143 (1963),466.
3.    

orl-mus LD50:280 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 143 (1963),466.
4.    

ipr-mus LD50:48 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 143 (1963),466.

Codeine, nicotinate (ester) Safety Profile

Poison by ingestion and intraperitoneal routes. See also CODEINE. An addictive drug. When heated to decomposition it emits toxic fumes of NOx.

Codeine, nicotinate (ester) Specification

 Codeine, nicotinate (ester) (CAS NO.3688-66-2) is also named as 4,5-Epoxy-3-methoxy-9a-methyl-7-morphinen-6alpha-yl nicotinat ; 4,5alpha-Epoxy-3-methoxy-9alpha-methyl-7-morphinen-6alpha-yl nicotinat ; BRN 0633524 ; Lyopect ; Nicocodina ; Nicocodina [INN-Spanish] ; Nicocodine ; Nicocodinum ; Nicocodinum [INN-Latin] ; Nicotinic acid, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methylmorphinan-6-alpha-yl ester ; Nicotinic acid, ester with codeine ; RC 146 ; UNII-DYX391P13E .

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