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| CAS No.: | 475-81-0 |
|---|---|
| Name: | BOLDINE DIMETHYL ETHER |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C21H25 N O4 |
| Molecular Weight: | 355.434 |
| Synonyms: | 4H-Dibenzo[de,g]quinoline,5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-; 6aa-Aporphine,1,2,9,10-tetramethoxy- (8CI); Glaucine (6CI,7CI); (+)-Glaucine; (S)-Glaucine;Boldine dimethyl ether; Bromcholitin; Glauvent; N,O,O'-Trimethyllaurelliptine;NSC 34396; O,O-Dimethylboldine; O,O-Dimethylisoboldine; S-(+)-Glaucine;d-Glaucine |
| Density: | 1.166g/cm3 |
| Melting Point: | 246-247oC |
| Boiling Point: | 487°Cat760mmHg |
| Flash Point: | 140.2°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 40.16000 |
| LogP: | 3.41100 |
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Chemistry
Molecular Structure of 1,2,9,10-Tetramethoxy-6a-alpha-aporphine (CAS NO. 475-81-0):
EINECS: 207-501-5
Chemical Name: 1,2,9,10-Tetramethoxy-6a-alpha-aporphine
Molecular Formula: C21H25NO4
Molecular Weight: 355.427500 g/mol
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 5
Isomeric SMILES: CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
InChI: InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKey: RUZIUYOSRDWYQF-HNNXBMFYSA-N
Index of Refraction: 1.575
Molar Refractivity: 100.81 cm3
Molar Volume: 304.7 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.166 g/cm3
Flash Point: 140.2 °C
Enthalpy of Vaporization: 75.28 kJ/mol
Boiling Point: 487 °C at 760 mmHg
Vapour Pressure: 1.23E-09 mmHg at 25 °C
Water Solubility of 1,2,9,10-Tetramethoxy-6a-alpha-aporphine (CAS NO. 475-81-0): 11.69 mg/L at 25 °C
Toxicity Data With Reference
| 1. | orl-rat LD50:545 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 46 (4)(1983),100. | ||
| 2. | ipr-rat LD50:143 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 46 (4)(1983),100. | ||
| 3. | orl-mus LD50:434 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 46 (4)(1983),100. | ||
| 4. | ipr-mus LD50:167 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 46 (4)(1983),100. | ||
| 5. | ipr-gpg LD50:140 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 46 (4)(1983),100. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Specification
1,2,9,10-Tetramethoxy-6a-alpha-aporphine with cas registry number of 475-81-0 is also called for (S)-5,6,6a7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline ; Boldine dimethyl ether ; Bromcholitin ; Glaucine ; Glauvent ; NSC 34396 ; S-(+)-Glaucine ; d-Glaucine ; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)- (9CI) ; 6a-alpha-Aporphine, 1,2,9,10-tetramethoxy- ; 6aalpha-Aporphine, 1,2,9,10-tetramethoxy- (8CI) .