S-(-)-Eticlopride hydrochloride
PubChem CID
11973707
Structure
Molecular Formula
Synonyms
- S-(-)-Eticlopride hydrochloride
- E-101
- EU-0100484
- CHEMBL1570350
- Tox21_500484
Molecular Weight
377.3 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2006-12-27
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C17H25ClN2O3.ClH/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11;/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22);1H/t11-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
RDZXYWICCLALQM-MERQFXBCSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCN(C2)CC)OC)Cl.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C17H26Cl2N2O3
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
377.3 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
376.1320481 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
376.1320481 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
61.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
396
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
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Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
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- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- Therapeutic Target Database (TTD)
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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