NEDOCROMIL

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R01AC07
UNII: 0B535E0BN0

Structure
InChI Key RQTOOFIXOKYGAN-UHFFFAOYSA-N
Smile CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
InChI
InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17NO7
Molecular Weight 371.35
AlogP 2.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 126.81
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 69049-73-6
ChEBI 7492
ChEMBL CHEMBL746
DrugBank DB00716
DrugCentral 1889
EPA CompTox DTXSID7023356
FDA SRS 0B535E0BN0
Human Metabolome Database HMDB0014854
Guide to Pharmacology 7607
KEGG C07255
PharmGKB PA450601
PubChem 50294
SureChEMBL SCHEMBL4611
ZINC ZINC000003782807
CONTENTS