UCSF

ZINC03830716

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 34 Yes

Popular Name: Diphenoxylate Diphenoxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3810-80-8 , 55840-97-6 , 915-30-0 , [3810-80-8]

Other Names:

1-(3-Cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride

1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester

1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester

1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester; 2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile; 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile; Diphenoxylate; ethyl 1-(3-cyano-3,3-diphenylpropyl)-4

1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride

1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride; 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride; diphenoxylate HCl; ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydroch

1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride; 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride; C30H32N2O2.HCl; COLONAID; DI-ATRO; DIPHENOXYLATE HCL AND ATROPINE SU

2,2-Diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile

3810-80-8

3810-80-8 (mono-hydrochloride)

3810-80-8; D03860; Diphenoxylate hydrochloride (USP)

4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride

4-Ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, hydrochloride

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester (9CI)

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride, mixt. with (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl alpha-(hydroxymethyl)benzeneacetate sulfate (2:1) (salt); 4-Piperidinecarboxylic acid, 1-(3-cya

5-22-02-00487 (Beilstein Handbook Reference)

55840-97-6; Atropine sulfate - diphenoxylate hydrochloride mixt; Atropine sulfate mixture with diphenoxylate hydrochloride; D00301; Diphenoxylate-atropine; Lomotil (TN)

915-30-0

915-30-0 (Parent)

915-30-0; C07872; Diphenoxylate

915-30-0; D07861; Diphenoxylate (INN)

AC1L21V6

AC1L2EKB

AC1O5E7B

AC1Q1SJB

AC1Q4QOH

AKOS005065925

ATROPINE SULFATE; DI-ATRO; DIPHENOXYLATE HYDROCHLORIDE; LS-187853

ATROPINE SULFATE; DIPHENOXYLATE HYDROCHLORIDE; C30H32N2O2.C17H23NO3.Cl.H2O4S; COLONAID; DI-ATRO; DIPHENOXYLATE HCL AND ATROPINE SULFATE; DIPHENOXYLATE HCL W/ ATROPINE SULFATE; LO-TROL; LOGEN; LOMANATE; LOMOTIL; LONOX; LOW-QUEL; LS-178573

BRN 0503374

C07872

C30H32N2O2

C30H32N2O2.HCl

CHEBI:59784

CHEMBL1200665

CID13505

CID19650

CID6432394

CPD000469140

CPD000469140; DIPHENOXYLATE

CPD000469140; DIPHENOXYLATE; SAM001246532

D03860

D07861

DAP001136

DB01081

Dea No. 9170

Dea No. 9170;Difenossilato [Dcit];Difenoxilato [INN-Spanish];Diphenoxalate;Diphenoxylatum [INN-Latin]

Difenossilato

Difenossilato [Dcit]

Difenoxilato

Difenoxilato [INN-Spanish]

Difenoxilato [Spanish]

difenoxilato; diphenoxylate; diphenoxylatum

Diphenoxalate

Diphenoxylate (BAN

Diphenoxylate (INN)

Diphenoxylate HCl

Diphenoxylate hydrochloride

Diphenoxylate hydrochloride (USP)

diphenoxylate hydrochloride(usp)

Diphenoxylate Monohydrochloride

Diphenoxylate [INN:BAN]

Diphenoxylatum

Diphenoxylatum [INN-Latin]

Diphenoxylatum [Latin]

EINECS 213-020-1

EINECS 223-287-6

Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate

Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate

Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride

FT-0080160

HSDB 3067

INN); Diphenoxylate HCl (FDA

INN); Diphenoxylate Hydrochloride (FDA

Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester

Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride

L001046

Lomotil

LS-85078

LS-85079

MFCD00058213

MFCD00072110

MLS001401383

MolPort-004-285-933

NCGC00167963-01

NIH 7562

R 1132

R 1132 (antiperistaltic)

R-1132

SAM001246532

SMR000469140

UNII-73312P173G

UNII-W24OD7YW48

USP)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.96 17.35 -48.62 1 4 1 55 453.606 9 ↓
Hi High (pH 8-9.5) 5.96 15.08 -10.05 0 4 0 53 452.598 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.46e-03 g/l DrugBank-approved
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP04225d; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP04225d; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )