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Name	Codeine, nicotinate (ester)	EINECS	N/A
CAS No.	3688-66-2	Density	1.36g/cm³
PSA	60.89000	LogP	2.69870
Solubility	N/A	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	N/A	Appearance	N/A
Safety	Poison by ingestion and intraperitoneal routes. See also CODEINE. An addictive drug. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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

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 NO_x.

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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