REMIFENTANIL

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AH06
UNII: P10582JYYK

Structure
InChI Key ZTVQQQVZCWLTDF-UHFFFAOYSA-N
Smile CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1
InChI
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2O5
Molecular Weight 376.45
AlogP 2.0
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 76.15
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 38900 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials
Ear Neoplasms 3 D004428 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials
Neuralgia, Postherpetic 3 D051474 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Obesity, Morbid 2 D009767 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Premature Birth 1 D047928 ClinicalTrials
Sleep Apnea, Obstructive 1 D020181 ClinicalTrials
Sleep Apnea Syndromes 0 D012891 ClinicalTrials

Related Entries

MCS

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 132875-61-7
ChEBI 8802
ChEMBL CHEMBL1005
DrugBank DB00899
DrugCentral 2363
EPA CompTox DTXSID00157826
FDA SRS P10582JYYK
Human Metabolome Database HMDB0015036
Guide to Pharmacology 7292
KEGG C08021
PharmGKB PA451232
PubChem 60815
SureChEMBL SCHEMBL36652
ZINC ZINC000000538283
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