sivelestat   Click here for help

GtoPdb Ligand ID: 6441

Synonyms: Elaspol® | LY544349 | ONO-5046 | Ono-EI-600
Approved drug
sivelestat is an approved drug
Compound class: Synthetic organic
Comment: Some data is linked to salt forms eg sodium tetra hydrate (PubChem CID 23663985).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 147.25
Molecular weight 434.11
XLogP 2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C
Isomeric SMILES OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C
InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChI Key BTGNGJJLZOIYID-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
International Nonproprietary Names Click here for help
INN number INN
7703 sivelestat
Synonyms Click here for help
Elaspol® | LY544349 | ONO-5046 | Ono-EI-600
Database Links Click here for help
CAS Registry No. 127373-66-4 (source: PubChem)
ChEMBL Ligand CHEMBL76688
DrugCentral Ligand 2452
GtoPdb PubChem SID 178103057
PubChem CID 107706
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Wikipedia Sivelestat