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CHEBI:6060 - Isosorbide

Default Structure
ChEBI IDCHEBI:6060
ChEBI NameIsosorbide
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILES[H][C@]12OC[C@H](O)[C@@]1([H])OC[C@H]2O
InChIInChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyKLDXJTOLSGUMSJ-JGWLITMVSA-N
Roles Classification
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Isosorbide (CHEBI:6060) has role antihypertensive agent (CHEBI:35674)
Isosorbide (CHEBI:6060) has role antineoplastic agent (CHEBI:35610)
Isosorbide (CHEBI:6060) has role cardiovascular drug (CHEBI:35554)
Isosorbide (CHEBI:6060) is a organic molecular entity (CHEBI:50860)
INN  Source
isosorbidaWHO MedNet
Synonyms  Source
1,4:3,6-dianhydro-d-glucitolChEMBL
AT-101ChEMBL
D-glucitol, 1,4:3,6-dianhydro-ChEMBL
(+)-D-IsosorbideDrugCentral
isobideDrugCentral
IsosorbideKEGG COMPOUND
Brand Name  Source
IsmoticChEMBL
Manual XrefsDatabases
1501DrugCentral
D00347KEGG DRUG
Registry NumbersSources
CAS:652-67-5KEGG COMPOUND
Citations