CHEBI:31839 - Meticrane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Meticrane
ChEBI ID CHEBI:31839
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:94670
Supplier Information
Download Molfile XML SDF
Formulae C10H13NO4S2
C10H13NO4S2
Net Charge 0
Average Mass 275.347
Monoisotopic Mass 275.02860
InChI InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKey FNQQBFNIYODEMB-UHFFFAOYSA-N
SMILES CC1=C(C=C2C(=C1)CCCS2(=O)=O)S(=O)(=O)N
ChEBI Ontology
Outgoing Meticrane (CHEBI:31839) is a thiochromane (CHEBI:50747)
Synonyms Sources
arresten DrugCentral
meticran DrugCentral
Meticrane KEGG COMPOUND
Manual Xrefs Databases
1777 DrugCentral
D01605 KEGG DRUG
LSM-5683 LINCS
View more database links
Registry Number Type Source
1084-65-7 CAS Registry Number DrugCentral
Last Modified
06 March 2017