UCSF

ZINC00531272

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Popular Name: SIBUTRAMINE HYDROCHLORIDE SIBUTRAMINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106650-56-0 , 106650-56-0; 125494-59-9; 84485-00-7 , 125494-59-9 , 84485-00-7 , 84485-00-7; 106650-56-0 ( , 84485-00-7; 106650-56-0 (base); 125494-59-9 (hydrate)

Other Names:

(+) and (-) enantiomers of cyclobutanemethanamine, 1-(4-chlorophenyl)- N,N -dimethyl-(alpha)-(2-methylpropyl)-, hydrochloride, monohydrate; (+-)-1-(p-Chlorophenyl)-alpha-isobutyl-N,N-dimethylcyclobutanemethylamine hydrochloride monohydrate; 1-(4-chlorophe

1-(1-(4-Chlorophenyl)cyclobutyl)-N,N,3-trimethylbutan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

106650-56-0

106650-56-0; Butramin (TN); D08513; Sibutramine (INN)

106650-56-0; C07247; Sibutramine

125494-59-9; D02571; Meridia (TN); Sibutramine hydrochloride (USAN); Sibutramine hydrochloride hydrate (JAN); Sibutramine hydrochloride monohydrate

84485-00-7 (hydrochloride)

AC-15773

AC1L1JUC

AKOS004119970

BSPBio_002737

BTS 54524; BTS-54524; C17H26ClN; Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)-; DEA No. 1675; LS-172014; Medaria; Meridia; N-1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutyl-N,N-dimethylamine HCl; Reductil; Sibutramina [Spa

BTS-54524

Butramin

Butramin (TN)

C07247

C17H26ClN

CHEMBL1419

CID5210

CPD000238156

CPD000238156; SAM001247105; Sibutramine

CPD000238156; Sibutramine

CPD000472527; SAM001246592; SIBUTRAMINE HCl

CPD000472527; SAM001246592; Sibutramine hydrochloride

Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)-

Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-¦Á-(2-methylpropyl)-

D08513

DAP000176

DB01105

DEA No. 1675

FT-0082832

HMS2052P05

HMS2090N17

I05-0006

INN)

INN); Sibutramine HCl (FDA

KBio2_002508

KBio2_005076

KBio2_007644

KBio3_001957

KBioGR_001653

KBioSS_002516

KES-524

LS-172014

LS-190096

Medaria

Meridia

MFCD00865450

MFCD00897667

MFCD04039806

MLS001066619

MLS001401362

MolPort-002-507-758

N-1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutyl-N,N-dimethylamine HCl

NCGC00092357-02

Reductil

SAM001247105

Sibutramina

Sibutramina [Spanish]

Sibutramina [Spanish];Sibutraminum [Latin]

Sibutramine

Sibutramine (BAN

Sibutramine (INN)

Sibutramine HCl

Sibutramine Hydrochloride

Sibutramine Hydrochloride (FDA

Sibutramine Hydrochloride monohydrate

Sibutramine [INN:BAN]

Sibutraminum

Sibutraminum [Latin]

SMR000238156

SPBio_001612

Spectrum2_001686

Spectrum3_001009

Spectrum4_001137

Spectrum5_001440

Spectrum_001961

STK802066

STOCK4S-20116

TL8000239

UNII-WV5EC51866

USAN)

USAN); Sibutramine (BAN

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) 5.00 10.74 -33.26 1 1 1 4 280.863 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.40e-04 g/l DrugBank-withdrawn
Purity 98% Fluorochem
therap anorexic, antidepressant, inhibitor of 5HT, norepinephrine & dopamine uptake MicroSource Spectrum
Therapy anorexic, antidepressant, uptake inhibitor (5HT, norepinephrine, dopamine) SMDC Iconix
Indications antiobesity KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01355s; 1 water; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 2290; NCC_CONTROLLED_SUBSTANCE : DEA SCHEDULE 4 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01355s; SALT: 1 water; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 2290 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 8000 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 8000 0.38 Functional ≤ 10μM

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