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Cas Database |
| Name |
Desethylmetoclopramide |
EINECS | N/A |
| CAS No. | 27260-19-1 | Density | 1.2g/cm3 |
| PSA | 79.87000 | LogP | 2.81700 |
| Solubility | N/A | Melting Point |
142-143 °C |
| Formula | C12H18 Cl N3 O2 | Boiling Point | 414.5°C at 760 mmHg |
| Molecular Weight | 271.747 | Flash Point | 204.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
o-Anisamide,4-amino-5-chloro-N-[2-(ethylamino)ethyl]- (8CI);4-Amino-5-chloro-N-(2-ethylaminoethyl)-2-methoxybenzamide;4-Amino-5-chloro-N-[2-(ethylamino)ethyl]-o-anisamide;N-(Ethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide |
Article Data | 3 |
Desethylmetoclopramide Chemical Properties
Product Name: Desethylmetoclopramide (CAS NO.27260-19-1)
Molecular Formula: C12H18ClN3O2
Molecular Weight: 271.78g/mol
Mol File: 27260-19-1.mol
Boiling point: 414.5 °C at 760 mmHg
Flash Point: 204.5 °C
Density: 1.2 g/cm3
Surface Tension: 44.9 dyne/cm
Enthalpy of Vaporization: 66.75 kJ/mol
Vapour Pressure: 4.41E-07 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 3
H-Bond Acceptor: 4
Structure Descriptors of Desethylmetoclopramide (CAS NO.27260-19-1):
IUPAC Name: 4-Amino-5-chloro-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
Canonical SMILES: CCNCCNC(=O)C1=CC(=C(C=C1OC)N)Cl
InChI: InChI=1S/C12H18ClN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKey: RTQMQUZXBADBGJ-UHFFFAOYSA-N
Desethylmetoclopramide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 245mg/kg (245mg/kg) | Bollettino Chimico Farmaceutico. Vol. 115, Pg. 649, 1976. | |
| mouse | LD50 | intravenous | 41mg/kg (41mg/kg) | Bollettino Chimico Farmaceutico. Vol. 115, Pg. 649, 1976. | |
| rat | LD50 | intraperitoneal | 242mg/kg (242mg/kg) | Bollettino Chimico Farmaceutico. Vol. 115, Pg. 649, 1976. | |
| rat | LD50 | intravenous | 120mg/kg (120mg/kg) | Bollettino Chimico Farmaceutico. Vol. 115, Pg. 649, 1976. |
Desethylmetoclopramide Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Desethylmetoclopramide Specification
Desethylmetoclopramide , its CAS NO. is 27260-19-1, the synonyms are 4-Amino-5-chloro-N-(2-(ethylamino)ethyl)-o-anisamide ; 4-Amino-5-chloro-N-(2-ethylaminoethyl)-2-methoxybenzamide ; BRN 2850460 ; Benzamide, 4-amino-5-chloro-N-(2-(ethylamino)ethyl)-2-methoxy- ; DEM ; Deetilato metoclopramide ; Deetilmetoclopramide ; o-Anisamide, 4-amino-5-chloro-N-(2-(ethylamino)ethyl)- .
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