UCSF

ZINC03830314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 No

Popular Name: Bethanechol chloride Bethanechol chloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 590-63-6 , 590-63-6, 674-38-4 , 590-63-6, 674-38-4 [bethanechol] , 674-38-4 , [590-63-6]

Other Names:

(+-)-(2-Hydroxypropyl)trimethylammonium chloride carbamate; (2-Hydroxypropyl)trimethylammonium chloride carbamate; 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride; 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride, (+-)

(-)-carbamoyl-beta-methylcholine chloride; (R)-(-)-carbamoyl-beta-methylcholine chloride; (R)-2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride; (R)-carbamoyl-beta-methylcholine chloride

(2-Hydroxypropyl)trimethylammonium carbamate

(2-Hydroxypropyl)trimethylammonium carbamate; 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-; 2-((Aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium; Amidopropyldimethylbetaine; Ammonium, (2-hydroxypropyl)trimethyl-, carbamate (ester); BRN 17737

(2-hydroxypropyl)trimethylammonium carbamate; 2-carbamoyloxypropyl-trimethylazanium; Bethanechol; amidopropyldimethylbetaine; carbamoyl-beta-methylcholine; carbamyl-beta-methylcholine

(2-hydroxypropyl)trimethylammonium chloride carbamate; 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride; 2-carbamoyloxypropyltrimethylammonium chloride; trimethyl(2-carbamoyloxypropyl)ammonium chloride

(R)-bethanechol

(R)-bethanechol chloride

(R)-carbamoyl-beta-methylcholine

1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-

1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl- (9CI)

2-((Aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium

2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium

2-carbamoyloxypropyl(trimethyl)azanium

2-carbamoyloxypropyl-trimethylazanium

590-63-6 (chloride)

590-63-6; Bethanechol chloride (JP16/USP); D01000; Urecholine (TN)

590-63-6; Bethanechol chloride; C08202

674-38-4

674-38-4; Bethanechol; C06850

AB00053794

AC1L1DJ2

Amidopropyldimethylbetaine

Amidopropyldimethylbetaine;Besacholine;beta-Methyl Carbachol Chloride;Bethaine Choline Chloride;Bethanechol Chloride;BTC;Carbamylmethylcholine Chloride

Ammonium, (2-hydroxypropyl)trimethyl-, carbamate (ester)

Besacholine

Beta-Methyl Carbachol Chloride

Bethaine Choline Chloride

Bethanechol

Bethanechol (chloride)

Bethanechol Chloride

Bethanechol Chloride (BAN

Bethanechol chloride; CPD000058680; SAM002548931; Urecholine

Bethanecol

BPBio1_001196

BRN 1773706

BSPBio_001086

BSPBio_001902

BTC

C06850

C7H17N2O2

Carbamoyl-beta-methylcholine

Carbamyl-beta-methylcholine

Carbamyl-ß-methylcholine chloride

Carbamylmethylcholine Chloride

CHEBI:3084

CHEBI:506520

CHEMBL1482

CID2370

CPD000058680; SAM002548931; Urecholine

DAP000263

DB01019

DivK1c_000179

Duvoid

FDA

FDA)

HMS2089I08

IDI1_000179

JAN

KBio1_000179

KBio2_000504

KBio2_003072

KBio2_005640

KBio3_001402

KBioGR_000690

KBioSS_000504

LS-18498

Mechotane

Mechothane

Mecothane

MFCD00055224

Mictone

Mictrol

Myocholine

Myotonachol

Myotonine Chloride

N/A

NCGC00015245-06

NCGC00089770-02

NCGC00163217-01

NINDS_000179

OR-1517

Prestwick0_001073

Prestwick1_001073

Prestwick2_001073

Prestwick3_001073

SPBio_000204

SPBio_002993

Spectrum2_000132

Spectrum3_000311

Spectrum4_000255

Spectrum5_000892

Spectrum_000084

UNII-004F72P8F4

Urabeth

Urecholine

Urecholine Chloride

Uro-Carb

USP

USP)

[1-(trimethylaminiumyl)propan-2-yl] carbamate chloride

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) -4.01 2.05 -34.72 2 4 1 52 161.225 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 209 - 211 Enamine Building Blocks
MP 209...211 Enamine Building Blocks
ALOGPS_SOLUBILITY 3.11e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Target AChR Selleck Chemicals
therap cholinergic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0251126A2; EP0251126B1; EP0533639A1; EP0542392B1; US5084281; US5130336; US5510122; WO1996005817A1; WO1998006742A2; WO1999005274A1; WO1999056785A2 IBM Patent Data
Therapy Muscarinic acetylcholine receptor agonist; resistant to acetylcholinesterase and non-specific cholinesterases SMDC MicroSource
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392072; 1 chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392072; SALT: 1 chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

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