UCSF

ZINC00001341

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 12 No

Popular Name: Edrophonium chloride Edrophonium chloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 116-38-1 , 116-38-1, 312-48-1 [edrop , 116-38-1, 312-48-1 [edrophonium] , 302-83-0 , 312-48-1 , [116-38-1]

Other Names:

(3-hydroxyphenyl)dimethylethylammonium

(3-hydroxyphenyl)dimethylethylammonium chloride; 3-hydroxy-N,N-dimethyl-N-ethylanilinium chloride; N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium chloride; ethyl(m-hydroxyphenyl)dimethylammonium chloride

(3-hydroxyphenyl)dimethylethylammonium; 3-hydroxy-N,N-dimethyl-N-ethylanilinium; EDROPHONIUM; Ethyl-(3-hydroxy-phenyl)-dimethyl-ammonium; N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium; edrophonium

ium

116-38-1 (cloride)

116-38-1; D00994; Edrophonium chloride (JP16/USP/INN); Enlon (TN); Tensilon (TN)

116-38-1; Edrophonium chloride; Prestwick_192

199

3-hydroxy-N,N-dimethyl-N-ethylanilinium

3-Hydroxyphenyldimethylethylammonium bromide; Ammonium, (3-hydroxyphenyl)dimethylethyl-, bromide; Ammonium, ethyl(m-hydroxyphenyl)dimethyl-, bromide; Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide; Edrophonium bromide; Ethyl(m-hydroxyphenyl)dimet

312-48-1

312-48-1; C06976; Edrophonium

AB00053796

AC1L1FEK

AC1Q7AIY

Ammonium, dimethylethyl(m-hydroxyphenyl)-, chloride; Ammonium, ethyl(m-hydroxyphenyl)dimethyl-, chloride; Antirex; Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride; C10H16NO; Chlorure d'edrophonium [INN-French]; Cloruro de edrofonio [INN-Spanish]

Ammonium, ethyl(m-hydroxyphenyl)dimethyl-, hydroxide; Edrofonium hydroxid [Czech]; Edrophonium hydroxide; Ethyl(m-hydroxyphenyl)dimethylammonium hydroxide; LS-17990; RO2-3198

Antirex

AR-1H8213

BAN

Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-

Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-; C10H16NO.Cl; Edrophonium; Edrophonium Bromide; Edrophonum; Edroponium; LS-174330; Tensilon

BPBio1_000008

BSPBio_000006

BSPBio_002386

C06976

C10H16NO.Cl

CAS-116-38-1

CHEBI:251408

CHEBI:267875

CHEBI:4758; CHEBI:42376

CHEMBL1104

chlorure d'edrophonium; cloruro de edrofonio; edrophonii chloridum; edrophonium chloride

CID3202

CPD000058672; EDROPHONIUM CHLORIDE; SAM002564207

DAP000562

DB01010

DivK1c_000809

DNC013782

EDR

EDR;Edrophone Chloride;Edrophonium Chloride;Edrophonium Ion;Edrophonum

Edrophone Chloride

Edrophonium

Edrophonium (chloride)

Edrophonium Bromide

Edrophonium Chloride

Edrophonium Chloride (BAN

Edrophonium Chloride (FDA

Edrophonium Ion

Edrophoniumchloride

Edrophonum

Edroponium

Enlon

Enlon Plus

ENLON-PLUS

Ethyl-(3-hydroxy-phenyl)-dimethyl-ammonium

ethyl-(3-hydroxyphenyl)-dimethylazanium

ethyl-(3-hydroxyphenyl)-dimethylazanium bromide

FDA

FDA)

IDI1_000809

INN

JAN

KBio1_000809

KBio2_000922

KBio2_003490

KBio2_006058

KBioGR_001032

KBioSS_000922

LS-174330

MFCD00055064

MolPort-005-942-309

N-ethyl-3-hydroxy-N,N-dimethylanilinium

N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium

N-Ethyl-3-hydroxy-N,N-dimethylbenzenaminium bromide

N-Ethyl-3-hydroxy-N,N-dimethylbenzenaminium chloride

N-Ethyl-3-hydroxy-N,N-dimethylbenzenaminiumchloride

NCGC00015409-01

NCGC00015409-02

NCGC00015409-03

NCGC00015409-07

NCGC00023975-03

NINDS_000809

Prestwick0_000083

Prestwick1_000083

Prestwick2_000083

Prestwick3_000083

Reversol

SPBio_001220

SPBio_001945

Spectrum2_001110

Spectrum4_000736

Spectrum5_001531

Spectrum_000442

Tensilon

Tensilon chloride

Tensilon preservative free

UNII-70FP3JLY7N

USP

USP)

ZINC00001341

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -2.06 4.96 -29.63 1 2 1 20 166.244 2 ↓
Hi High (pH 8-9.5) -2.06 5.72 -41.43 0 2 0 23 165.236 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.328 Bitter DB
ALOGPS_SOLUBILITY 4.86e-02 g/l DrugBank-approved
Purity 95% Fluorochem
Therapy acetylcholinesterase inhibitor SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : E-9856; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT PINK POWDER; 1 chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: E-9856; SALT: 1 chloride; SUPPLIER_COMMENTS: LIGHT PINK POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-10-E Acetylcholinesterase (cluster #10 Of 12), Eukaryotic Eukaryotes 5360 0.61 Binding ≤ 10μM
Z50512-3-O Cavia Porcellus (cluster #3 Of 7), Other Other 2770 0.65 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_BOVIN P23795 Acetylcholinesterase, Bovin 200 0.78 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 200 0.78 Binding ≤ 1μM
ACES_BOVIN P23795 Acetylcholinesterase, Bovin 200 0.78 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 200 0.78 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 2770 0.65 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

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

No pre-computed analogs available. Try a structural similarity search.