TRIMEBUTINE 3-THIOCARBAMOYLBENZENESULFONATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5O1CF9IS48

Structure
InChI Key ACKBGPXURGPUEW-UHFFFAOYSA-N
Smile CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.NC(=S)c1cccc(S(=O)(=O)O)c1
InChI
InChI=1S/C22H29NO5.C7H7NO3S2/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;8-7(12)5-2-1-3-6(4-5)13(9,10)11/h8-14H,7,15H2,1-6H3;1-4H,(H2,8,12)(H,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H36N2O8S2
Molecular Weight 604.75
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297381
FDA SRS 5O1CF9IS48
PubChem 71725148
SureChEMBL SCHEMBL15271028
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