DIPHENOXYLATE HYDROCHLORIDE

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Search structure


Synonyms	Diphenoxylate HCl Diphenoxylate hcl Diphenoxylate hydrochloride Diphenoxylate hydrochloride cii Diphenoxylati hydrochloridum R-1132 (ANTIPERISTALTIC)
Status
Molecule Category	Salt-form
UNII	W24OD7YW48
EPA CompTox	DTXSID3047843

Structure


InChI Key	SHTAFWKOISOCBI-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl
InChI	InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C30H33ClN2O2
Molecular Weight	489.06
AlogP	5.48
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	53.33
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Mu opioid receptor agonist	AGONIST	PubMed Wikipedia

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	46-95

Target Conservation


Protein: Mu opioid receptor Description: Mu-type opioid receptor Organism : Homo sapiens P35372 ENSG00000112038

Cross References

Resources	Reference
ChEBI	59784
ChEMBL	CHEMBL1200665
FDA SRS	W24OD7YW48
PubChem	19650
SureChEMBL	SCHEMBL42124

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025