Structure

InChI Key ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Smile Cc1ncc(CO)c(CO)c1O.Cl
InChI
InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12ClNO3
Molecular Weight 205.64
AlogP 0.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 73.58
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
None Supplement DailyMed BNF DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Tuberculosis 3 D014376 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
18.49
General disorders and administration site conditions
14.29
Gastrointestinal disorders
10.5
Injury, poisoning and procedural complications
10.5
Skin and subcutaneous tissue disorders
10.08
Musculoskeletal and connective tissue disorders
4.62
Infections and infestations
4.2
Immune system disorders
3.36
Pregnancy, puerperium and perinatal conditions
3.36
Psychiatric disorders
3.36
Metabolism and nutrition disorders
2.52

Cross References

Resources Reference
ChEBI 30961
ChEMBL CHEMBL1200756
EPA CompTox DTXSID1040792
FDA SRS 68Y4CF58BV
PubChem 6019
SureChEMBL SCHEMBL42293