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CAS No.: | 315-72-0 |
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Name: | Opipramol |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C23H29 N3 O |
Molecular Weight: | 363.503 |
Synonyms: | 5H-Dibenz[b,f]azepine,1-piperazineethanol deriv.;4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol;Endison;G 33040;GR 33040;N-[3-[4-(2-Hydroxyethyl)piperazino]propyl]iminostilbene;NSC 169867;Opipramol G;Opramidol;1-Piperazineethanol,4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-; |
EINECS: | 206-254-0 |
Density: | 1.129 g/cm3 |
Melting Point: | 100-1010C |
Boiling Point: | 555.1 °C at 760 mmHg |
Flash Point: | 290.5 °C |
Hazard Symbols: | Xn,N |
Risk Codes: | 22-50/53 |
Safety: | Poison by intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by ingestion. Many dibenz-azepine compounds have central nervous system effects. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 29.95000 |
LogP: | 3.24930 |
1. Introduction of Opipramol
Opipramol is one kind of crystalline solid. The IUPAC Name of this chemical is 2-[4-(3-Benzo[B][1]Benzazepin-11-Ylpropyl)Piperazin-1-Yl]Ethanol. Opipramol belongs to Intermediates & Fine Chemicals; Pharmaceuticals. The Classification Code of Opipramol is Adrenergic Agents is Adrenergic uptake inhibitors; Antidepressive Agents; Antidepressive agents, tricyclic; Central Nervous System Agents; Drug / Therapeutic Agent; Neurotransmitter Agents; Neurotransmitter Uptake; Inhibitors; Psychotropic Drugs. Besides, Opipramol can soluble in chlorform and methanol.
2. Properties of Opipramol
Physical properties about Opipramol are:
(1)Density: 1.129 g/cm3; (2)Melting Point: 100-1010°C; (3)Flash Point: 290.5 °C; (4)Boiling Point: 555.1 °C at 760 mmHg; (5)Vapour Pressure: 3.72E-13 mmHg at 25°C; (6)Enthalpy of Vaporization: 88 kJ/mol; (7)XLogP3-AA: 3.6; (8)H-Bond Donor: 1; (9)H-Bond Acceptor: 4; (10)Rotatable Bond Count: 6; (11)Exact Mass: 363.231063; (12)MonoIsotopic Mass: 363.231063; (13)Topological Polar Surface Area: 30; (14)Heavy Atom Count: 27; (15)Formal Charge: 0; (16)Complexity: 448; (17)Isotope Atom Count: 0; (18)Defined Atom Stereocenter Count: 0; (19)Undefined Atom Stereocenter Count: 0; (20)Defined Bond Stereocenter Count: 0; (21)Undefined Bond Stereocenter Count: 0; (22)Covalently-Bonded Unit Count: 1; (23)Feature 3D Acceptor Count: 1; (24)Feature 3D Donor Count: 1; (25)Feature 3D Cation Count: 3; (26)Feature 3D Ring Count: 4; (27)Effective Rotor Count: 7.4; (28)Conformer Sampling RMSD: 0.8.
3. Structure Descriptors of Opipramol
(1)InChI: InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
(2)InChIKey: YNZFUWZUGRBMHL-UHFFFAOYSA-N
(3)Canonical SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO
(4)Smiles: N1(c2c(C=Cc3c1cccc3)cccc2)CCCN1CCN(CC1)CCO
4. Toxicity of Opipramol
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 120mg/kg (120mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
mouse | LD50 | intravenous | 45mg/kg (45mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
mouse | LD50 | oral | 400mg/kg (400mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 181, Pg. 68, 1969. | |
mouse | LD50 | subcutaneous | 315mg/kg (315mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
rabbit | LD50 | intravenous | 11mg/kg (11mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
rat | LD50 | intraperitoneal | 95mg/kg (95mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
rat | LD50 | intravenous | 32mg/kg (32mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. | |
rat | LD50 | oral | 1110mg/kg (1110mg/kg) | Farmaco, Edizione Pratica. Vol. 25, Pg. 519, 1970. | |
rat | LD50 | subcutaneous | 497mg/kg (497mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 560, 1964. |