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Diphenoxylate Hydrochloride

CAT: 1459-CS-O-01356Size: 1 EachDry Ice: NoHazardous: No
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Description
Diphenoxylate Hydrochloride is listed under API and is intended for research and analytical applications. It is associated with Diphenoxylate. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
3810-80-8
Synonyms
Diphenoxylate Hydrochloride
Molecular Formula
C 30 H 32 N 2 O 2 : HCl
Molecular Weight
452.6 : 36.5
Additionnal Information
Diphenoxylate Hydrochloride is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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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Alternative Products

CatalogName
TRC-D489400-5MGDiphenoxylate Hydrochloride
TRC-D489402-25MGDiphenoxylate-d4 Hydrochloride
RM-D583000-01Diphenoxylate hydrochloride controlled substance
TRC-KIT4440-5X1MLDiphenoxylate Hydrochloride (1.0mg/ml in Acetonitrile)
KIT1550Diphenoxylate Hydrochloride (1.0 mg/ml in Methanol)
RM-D061440-01Diphenoxylate-D4
MBS5781120-01Diphenoxylate HCl
TRC-D585620-50MGDiphenoxylate N-Oxide
GTR19143933Diphenoxylate (DPH) /BSA
RM-D061402-01Diphenoxylate EP Impurity B

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