UCSF

ZINC00608117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 28 Yes

Popular Name: TRIMEBUTINE MALEATE TRIMEBUTINE MALEATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 12002-53-8 , 34140-59-5 , 34140-59-5(base) , 39133-31-8 , [12002-53-8] , [39133-31-8] , [58997-88-9]

Download: MOL2 SDF SMILES Flexibase

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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) 4.30 10.36 -42.4 1 6 1 58 388.484 10 ↓
Hi High (pH 8-9.5) 4.30 8.03 -8.37 0 6 0 57 387.476 10 ↓

Vendor Notes

Note Type Comments Provided By
mechanism (i) an agonist effect on peripheral mu, kappa and delta opiate receptors and IBScreen Bioactives
mechanism (ii) release of gastrointestinal peptides such as motilin and modulation of the release of other peptides, including vasoactive intestinal peptide, gastrin and glucagon IBScreen Bioactives
mechanism . ZereneX Building Blocks
Purity 98.5% APIChem
biological_use Antispasmodic agent IBScreen Bioactives
Therapy antispasmodic, opiod receptor agonist SMDC Pharmakon
Indications Irritable Bowel Syndrome KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02875t; 1 maleic acid NIH Clinical Collection via PubChem
Target Opioid Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02875t; SALT: 1 maleic acid NIH Clinical Collection via PubChem
mechanism The actions of trimebutine on the gastrointestinal tract are mediated via IBScreen Bioactives

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