ROPIVACAINE

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01BB09
UNII: 7IO5LYA57N

Structure
InChI Key ZKMNUMMKYBVTFN-HNNXBMFYSA-N
Smile CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
InChI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26N2O
Molecular Weight 274.41
AlogP 3.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 6.39-9.39
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 53000 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 430000 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 646400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Analgesia 3 D000698 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Hypotension 3 D007022 ClinicalTrials
Knee Injuries 3 D007718 ClinicalTrials
Ovarian Cysts 3 D010048 ClinicalTrials
Hallux Valgus 3 D006215 ClinicalTrials
Paralysis 3 D010243 ClinicalTrials
Chronic Pain 3 D059350 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Abdominal Pain 3 D015746 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Genital Neoplasms, Male 3 D005834 ClinicalTrials
Fractures, Bone 3 D050723 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Pregnancy 2 D011247 ClinicalTrials
Appendicitis 2 D001064 ClinicalTrials
Leiomyoma 2 D007889 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
Postoperative Nausea and Vomiting 2 D020250 ClinicalTrials
Joint Diseases 2 D007592 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Shoulder Pain 2 D020069 ClinicalTrials
Rib Fractures 1 D012253 ClinicalTrials
Sinusitis 1 D012852 ClinicalTrials
Fasciitis, Plantar 1 D036981 ClinicalTrials
Hernia, Inguinal 1 D006552 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 84057-95-4
ChEBI 8890
ChEMBL CHEMBL1077896
DrugBank DB00296
DrugCentral 2403
EPA CompTox DTXSID4040187
FDA SRS 7IO5LYA57N
Human Metabolome Database HMDB14441
Guide to Pharmacology 7602
KEGG C07532
PubChem 175805
SureChEMBL SCHEMBL33292
ZINC ZINC000000897002
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