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Atropine Sulfate; Diphenoxylate Hydrochloride

HCID 64662
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Basic information

CAS
55840-97-6
Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.Cl.O=S(=O)(O)O
InChIKey
HKIGPMUNBXIAHY-GGOMQESOSA-N
Molecular formula
C47H58ClN3O9S
Average molar mass
876.5 g/mol
Monoisotopic mass
875.3582293

Overview

Diphenoxylate Hydrochloride/Atropine Sulfate is a formulation containing the hydrochloride salt form of diphenoxylate, a synthetic opioid of the phenylpiperidine class, and the sulfate salt form of the anticholinergic agent atropine, with antidiarrheal activity. Upon oral administration, diphenoxylate acts on opioid receptors in the gastrointestinal (GI) tract, thereby decreasing GI motility, prolonging transit time, and preventing diarrhea. Through its anticholinergic effects, atropine prevents deliberate over-usage of diphenoxylate by triggering very unpleasant side effects (SEs), such as severe weakness and nausea.

Names & identifiers

Preferred name
Atropine Sulfate; Diphenoxylate Hydrochloride
IUPAC
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride
English name
Lomotil
Molecular formula
C30H32N2O2.C17H23NO3.ClH.H2O4S
Molecular weight
876.506

Names & synonyms

LonoxColonaidLOGENLOMANATELOW-QUELDI-ATROLO-TROLDiphenoxylate hydrochloride and atropine sulfateDiphenoxylate hydrochloride w/ atropine sulfateRefChem:57779DIPHENOXYLATE HCL AND ATROPINE SULFATEATROPINE SULFATE; DIPHENOXYLATE HYDROCHLORIDE
Show more names
Atropine sulfate/Diphenoxylate hydrochlorideAtropine sulfate;Diphenoxylate hydrochlorideDiphenoxylate Hydrochloride/Atropine SulfateDiphenoxylate Hydrochloride;Atropine SulfateAtropine sulfate / Diphenoxylate hydrochlorideDiphenoxylate Hydrochloride / Atropine SulfateLomotil55840-97-6

Database identifiers

CAS
55840-97-6
PubChem CID
64662

Properties

Computed structural properties

Topological polar surface area
186 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
14
Heavy atoms
61
Formal charge
0
Complexity
1,100

Experimental & physicochemical properties

Human DrugsFDA approved drugs -> Active ingredient

Physicochemical properties

CAS DataBase Reference
55840 · 55840-97-6

Related reactions

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Compound notes

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