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Diphenoxylate Hydrochloride

CAT: 0572-TRC-D489400-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D489400-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3810-80-8
Synonyms
Diphenoxylate hydrochloride; Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride; 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1); 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride (9CI); Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (6CI,7CI); Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride (8CI); 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester hydrochloride; 2,2-Diphenyl-4-(4-carbethoxy-4-phenyl-1-piperidino)butyronitrile hydrochloride; 2,2-Diphenyl-4-(4-carboxy-4-phenyl-1-piperidino)butyronitrile ethyl ester hydrochloride; R 1132; R 1132 (antiperistaltic)
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4
Molecular Formula
C30 H32 N2 O2 . Cl H
Molecular Weight
489.05
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
Additionnal Information
IUPAC name: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Diphenoxylate Hydrochloride

Diphenoxylate Hydrochloride is the hydrochloride salt form of diphenoxylate, a piperidine derivate, chemically related to narcotic meperidine, with antidiarrheal activity and devoid of central nervous system (CNS) activity. Diphenoxylate acts on opioid receptors in the gastrointestinal tract, thereby decreasing gastrointestinal motility and causing constipation or preventing diarrhea.

CAS Number3810-80-8
PubChem CID6432394
IUPAC Nameethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
Molecular FormulaC30H33ClN2O2
Molecular Weight489.0
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity666
SMILES
CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.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
InChIKey
SHTAFWKOISOCBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenoxylate Hydrochloride
CAS: 3810-80-8
CID: 6432394
Formula: C30H33ClN2O2
MW: 489.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass488.2230560
Monoisotopic Mass488.2230560
Topological Polar Surface Area53.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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