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| Name |
Ecopipam hydrochloride |
EINECS | N/A |
| CAS No. | 190133-94-9 | Density | N/A |
| PSA | 23.47000 | LogP | 4.72010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H20ClNO•ClH | Boiling Point | N/A |
| Molecular Weight | 350.29 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intramuscular route. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Ecopipam hydrochloride Chemical Properties
Molecule structure of Ecopipam hydrochloride (CAS NO.190133-94-9):
Molecular Weight: 350.28214 g/mol
Molecular Formula: C19H21Cl2NO
Boiling Point: 451.9 °C at 760 mmHg
Flash Point: 227.1 °C
Enthalpy of Vaporization: 73.84 kJ/mol
Vapour Pressure: 8.75E-09 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Tautomer Count: 9
Exact Mass: 349.10002
MonoIsotopic Mass: 349.10002
Topological Polar Surface Area: 23.5
Heavy Atom Count: 23
Complexity: 403
Defined Atom StereoCenter Count: 2
Canonical SMILES: CN1CCC2=CC(=C(C=C2C3C1CCC4=CC=CC=C34)O)Cl.Cl
Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Cl
InChI: InChI=1S/C19H20ClNO.ClH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H/t17-,19+;/m0./s1
InChIKey: APFMVAHRFWBCDG-JUOYHRLASA-N
Classification Code of Ecopipam hydrochloride (CAS NO.190133-94-9): Treatment of addiction disorders (selective dopamine receptor D1/D5 antagonist)
Ecopipam hydrochloride Toxicity Data With Reference
| 1. | ims-mky TDLo:0.3 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1017. |
Ecopipam hydrochloride Safety Profile
A poison by intramuscular route. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Ecopipam hydrochloride Specification
Ecopipam hydrochloride (CAS NO.190133-94-9) is also named as (-)-(6aS-13bR)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo(d)naphth(2,1-b)azepin-12-ol hydrochloride ; (6aS-trans)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-ethyl-5H-benzo(d)naphth(2,1-b)azepin-12-ol hydrochloride ; Ecopipam HCl ; Sch 39166 ; UNII-5X1J3190JI ; 5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, hydrochloride, (6aS,13bR)- ; 5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, hydrochloride, (6aS-trans)- .
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