UCSF

ZINC01812123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 25 No

Popular Name: Oxyphenonium bromide Oxyphenonium bromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50-10-2 , [50-10-2]

Other Names:

(-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate; Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (-)-; LS-17466

ium

1407-05-2

2-((Cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methylethanaminium

2-((Cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methylethanaminium; Atrenyl; C21H34NO3; Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-; LS-173137; Metacin; Methacin; Oxiphenonum; Oxyphenon; Oxyphenonium; Oxyphenonium Bromi

2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium

2-[2-cyclohexyl(hydroxy)phenylacetoxy]-n,n-diethyl-n-methylethanaminium

50-10-2 (bromide)

50-10-2; Antrenyl (TN); D06877; Oxyphenonium bromide (INN)

AC1L1L1W

AC1Q65RG

AKOS000510119

Antrenyl

ANTRENYL; Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenylcyclohexaneglycolate; Antrenyl bromide; BA-5473; Bromure d'oxyphenonium [INN-French]; Bromuro de oxifenonio [INN-Spanish]; C 5473; C21H34NO3; Diethyl(2-hydroxyethyl)methylammonium br

AR-1D6728

Argicillin

Atrenyl

BAN

BAS 01095672

C21H34NO3

CID5749

CPD000058660; OXYPHENONIUM BROMIDE

CPD000058660; OXYPHENONIUM BROMIDE; SAM001246887

DAP001124

DB00219

DCF

DCF;Hydroxymethylgramicidin;Methocidin [Dcf:Inn];Methocidine [INN-French];Methocidinum [INN-Latin];Metocidina [INN-Spanish];Oxiphenonum;Oxyphenonium Bromide

EINECS 215-801-2

Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-

FDA

Hydroxymethylgramicidin

INN

INN)

L000855

LS-173137

LS-17468

Methacin

Methocidin

Methocidin [Dcf:Inn]

Methocidine

Methocidine [INN-French]

Methocidinum

Methocidinum [INN-Latin]

Metocidina

Metocidina [INN-Spanish]

MFCD00050259

MI

MI)

MolPort-001-955-093

Oxiphenonum

Oxyphenonium

Oxyphenonium Bromide

Oxyphenonium Bromide (BAN

Oxyphenonium Bromide (FDA

Oxyphenonium Chloride

Oxyphenonium Iodide

Spastrex

STOCK1S-44852

UNII-D2G5508Y7I

[2-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-ethyl]-diethyl-methyl-ammonium

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) 0.29 11.8 -32.3 1 4 1 47 348.507 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.36e-04 g/l DrugBank-approved
Therapy anticholinergic, anticonvulsant SMDC Pharmakon
PUBCHEM_PATENT_ID EP0035903A1; EP0063870A2; EP0126684A2; EP0126684B1; EP0169105A2; EP0169105B1; EP0208617A1; EP0227494A1; EP0227494B1; EP0302693A2; EP0302693B1; EP0314206A1; EP0314206B1; EP0336543A1; EP0354186A1; EP0354186B1; EP0424043A1; EP0424043B1; EP0437368B1; EP044710 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : O5501; 1 bromide NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: O5501; SALT: 1 bromide NIH Clinical Collection via PubChem

Activity (Go SEA)

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