N-Desethyl Metoclopramide

Modify Date: 2024-01-06 14:15:21

N-Desethyl Metoclopramide Structure
N-Desethyl Metoclopramide structure
Common Name N-Desethyl Metoclopramide
CAS Number 27260-19-1 Molecular Weight 271.74300
Density 1.2g/cm3 Boiling Point 414.5ºC at 760 mmHg
Molecular Formula C12H18ClN3O2 Melting Point N/A
MSDS N/A Flash Point 204.5ºC

 Names

Name 4-Amino-5-chloro-N-[2-(ethylamino)ethyl]-2-methoxybenzamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Boiling Point 414.5ºC at 760 mmHg
Molecular Formula C12H18ClN3O2
Molecular Weight 271.74300
Flash Point 204.5ºC
Exact Mass 271.10900
PSA 79.87000
LogP 2.81700
Vapour Pressure 4.41E-07mmHg at 25°C
Index of Refraction 1.559

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BZ3330000
CHEMICAL NAME :
o-Anisamide, 4-amino-5-chloro-N-(2-(ethylamino)ethyl)-
CAS REGISTRY NUMBER :
27260-19-1
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H18-Cl-N3-O2
MOLECULAR WEIGHT :
271.78
WISWESSER LINE NOTATION :
2M2MVR DZ CG FO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
242 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,649,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,649,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
245 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,649,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
41 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,649,1976

 Synthetic Route

~62%

N-Desethyl Metoclopramide Structure

N-Desethyl Meto...

CAS#:27260-19-1

Literature: NEKTAR THERAPEUTICS; CHENG, Lin; RIGGS-SAUTHIER, Jennifer; ANAND, Neel, K. Patent: WO2014/43707 A1, 2014 ; Location in patent: Paragraph 0166; 0167 ;

~%

N-Desethyl Metoclopramide Structure

N-Desethyl Meto...

CAS#:27260-19-1

Literature: Monkovic, Ivo; Wong, Henry; Bachand, Carol Synthesis, 1985 , # 8 p. 770 - 773

~%

N-Desethyl Metoclopramide Structure

N-Desethyl Meto...

CAS#:27260-19-1

Literature: Monkovic, Ivo; Wong, Henry; Bachand, Carol Synthesis, 1985 , # 8 p. 770 - 773

 Synonyms

ethylethylenediamine-4-amino-5-chloro-2-methoxybenzoic acid amide
N-deethyl-Metoclopramide