mercaptamine   Click here for help

GtoPdb Ligand ID: 7440

Synonyms: CI-9148 | Cystagon® | Cystaran® | cysteamine hydrochloride | L-1573
Approved drug PDB Ligand
mercaptamine is an approved drug (FDA (1994), EMA (1997))
Compound class: Synthetic organic
Comment: Mercaptamine is the simplest stable aminothiol, and a degradation product of the amino acid cysteine.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 64.82
Molecular weight 77.03
XLogP 0.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCS
Isomeric SMILES NCCS
InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChI Key UFULAYFCSOUIOV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1994), EMA (1997))
IUPAC Name Click here for help
2-Aminoethanethiol
International Nonproprietary Names Click here for help
INN number INN
195 mercaptamine
Synonyms Click here for help
CI-9148 | Cystagon® | Cystaran® | cysteamine hydrochloride | L-1573
Database Links Click here for help
CAS Registry No. 60-23-1
ChEBI CHEBI:17141
ChEMBL Ligand CHEMBL602
DrugBank Ligand DB00847
DrugCentral Ligand 768
GtoPdb PubChem SID 178104012
PubChem CID 6058
RCSB PDB Ligand DHL
Search Google for chemical match using the InChIKey UFULAYFCSOUIOV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UFULAYFCSOUIOV
Search PubMed clinical trials mercaptamine
Search PubMed titles mercaptamine
Search PubMed titles/abstracts mercaptamine
Search UniChem for chemical match using the InChIKey UFULAYFCSOUIOV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UFULAYFCSOUIOV
Wikipedia Cysteamine