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| CAS No.: | 5913-76-8 |
|---|---|
| Name: | CODEINE PHOSPHATE, SEQUIHYDRATE) |
| Molecular Structure: | |
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|
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| Formula: | C18H21NO3•H3O4P•3/2H2O |
| Molecular Weight: | 424.38 |
| Synonyms: | CODEINE PHOSPHATE, SEQUIHYDRATE) |
| Density: | g/cm3 |
| Boiling Point: | 462°Cat760mmHg |
| Flash Point: | 233.2°C |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and POx. A narcotic analgesic and antitussive. See also CODEINE and CODEINE PHOSPHATE. |
| PSA: | 286.69000 |
| LogP: | 0.82790 |
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Chemistry
Molecular Structure of Codeine phosphate sesquihydrate (CAS NO. 5913-76-8):
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Molecular Formula: C36H54N2O17P2
Molecular Weight: 848.764682 g/mol
H-Bond Donor: 11
H-Bond Acceptor: 19
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O
InChI: 1S/2C18H21NO3.2H3O4P.3H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;;/m00...../s1
InChIKey: UDIMULCGRYVAIM-REWFBLHLSA-N
Flash Point: 233.2 °C
Enthalpy of Vaporization: 76.18 kJ/mol
Boiling Point: 462 °C at 760 mmHg
Vapour Pressure of Codeine phosphate sesquihydrate (CAS NO. 5913-76-8): 2.47E-09 mmHg at 25 °C
Toxicity Data With Reference
| 1. | orl-rat LD50:209 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1011. | ||
| 2. | ipr-rat LD50:38 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1011. | ||
| 3. | scu-rat LD50:81 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1011. | ||
| 4. | orl-mus LD50:290 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1787. | ||
| 5. | ipr-mus LD50:83 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1011. | ||
| 6. | scu-mus LD50:191 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 81 (1961),740. | ||
| 7. | ivn-mus LD50:70 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 5 (1971),1787. | ||
| 8. | ivn-dog LD50:97,800 µg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 81 (1961),740. | ||
| 9. | orl-rbt LDLo:100 mg/kg | MEIEDD Merck Index. 10 (1983),350. |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and POx. A narcotic analgesic and antitussive. See also CODEINE and CODEINE PHOSPHATE.
Specification
Codeine phosphate sesquihydrate with cas registry number of 5913-76-8 is also known as Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, phosphate, sesquihydrate (3:3:2) .