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Loperamide structure, CAS 53179-11-6

Loperamide

CAS Number53179-11-6

SynonymsLoperamida; 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide; Maalox Anti-Diarrheal; [3H]-Loperamide; Ioperamide; Loperacap; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide; Apo-Loperamide; Kaopectate II; MFCD00600388; Imodium; Loperamidum; EINECS 258-416-5; Nu-Loperamide

Molecular FormulaC29H33ClN2O2

Molecular Weight513.50

Purity99.00%

Density1.187g/cm3

Boiling Point647.2ºC at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS252-082-4

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Symbol

Signal Word

Cat. No.: 2A-9011226 Purity: 99.00%
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Quality Control of [ 53179-11-6 ] Purity: 99.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number53179-11-6
Catalog No.2A-9011226
Chinese Name洛哌丁胺
SynonymsLoperamida; 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide; Maalox Anti-Diarrheal; [3H]-Loperamide; Ioperamide; Loperacap; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide; Apo-Loperamide; Kaopectate II; MFCD00600388; Imodium; Loperamidum; EINECS 258-416-5; Nu-Loperamide
Molecular FormulaC29H33ClN2O2
Molecular Weight513.50
Purity99.00
Density1.187g/cm3
Boiling Point647.2ºC at 760 mmHg
ApplicationLoperamide (ADL 2-1294) is a selective μ opioid receptor agonist with Ki of 3, 48, and 1156 nM for μ, δ, and κ opioid receptors, respectively. Loperamide acts as an antidiarrheal agent.
EINECS252-082-4
HTC29252000
PubChem ID329754758
MDL NumberMFCD00058581
SMILESCl.CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4
InChI1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
InChI KeyPGYPOBZJRVSMDS-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/11226_1_53179_11_6.pdf
Use ofLoperamide (ADL 2-1294) is a selective μ opioid receptor agonist with Kis of 3, 48 and 1156 nM against μ, δ and κ opioid receptor, respectively. Loperamide can be used as an antidiarrheal agent[1]. Properties Name loperamide Synonym More Synonyms Loperamide Biological Activity Description Loperamide (ADL 2-1294) is a selective μ opioid receptor agonist with Kis of 3, 48 and 1156 nM against μ, δ and κ opioid receptor, respectively. Loperamide can be used as an antidiarrheal agent[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Opioid Receptor Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology Signaling Pathways >> Neuronal Signaling >> Opioid Receptor Ki: 3 nM (μ opioid receptor), 48 nM (δ opioid receptor), 1156 nM (κ opioid receptor)[1] References [1]. DeHaven-Hudkins DL, et al. Loperamide (ADL 2-1294), an opioid antihyperalgesic agent with peripheral selectivity. J Pharmacol Exp Ther. 1999 Apr;289(1):494-502. Chemical & Physical Properties Exact Mass 476.22300 PSA 43.78000 LogP 5.02590 Index of Refraction 1.6 InChIKey RDOIQAHITMMDAJ-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha -diphenyl- CAS REGISTRY NUMBER : 53179-11-6 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C29-H33-Cl-N2-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 8,279,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5100 ug/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 2800 ug/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor Nutritional and Gross Metabolic - body temperature increase REFERENCE : Safety Information Hazard Codes C,Xi WGK Germany 3 RTECS FF2200000 HS Code 29252000 Synthetic Route 4-(4-Chlorophen... CAS#:39512-49-7 3,3-Diphenyltet... CAS#:37743-18-3 Loperamide CAS#:53179-11-6 Literature: Chen, Zhengming; Davies, Ellen; Miller, Wendy S.; Shan, Shen; Valenzano, Kenneth J.; Kyle, Donald J. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 21 p. 5275 - 5279 4-Bromo-2,2-dip... CAS#:37742-98-6 Loperamide CAS#:53179-11-6 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 21 p. 5275 - 5279 4-bromo-2,2-dip... CAS#:50650-44-7 Loperamide CAS#:53179-11-6 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 21 p. 5275 - 5279 Precursor & DownStream Precursor 4 CAS#:39512-49-7 4-(4-Chlorophen... CAS#:37743-18-3 3,3-Diphenyltet... CAS#:37742-98-6 4-Bromo-2,2-dip... CAS#:956-89-8 ALPHA,ALPHA-DIP... DownStream 0
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