Ropivacaine hydrochlorideProduct ingredient for Ropivacaine

Name
Ropivacaine hydrochloride
Drug Entry
Ropivacaine

Ropivacaine is an aminoamide local anesthetic drug marketed by AstraZeneca under the trade name Naropin. It exists as a racemate of its S- and R-enantiomers, although the marketed form is supplied only as the purified S-enantiomer.2

Accession Number
DBSALT000902  (DBSALT001585)
Structure
Synonyms
Ropivacaine HCl / Ropivacaine hydrochloride hydrate / Ropivacaine hydrochloride monohydrate
UNII
V910P86109
CAS Number
132112-35-7
Weight
Average: 328.88
Monoisotopic: 328.1917559
Chemical Formula
C17H29ClN2O2
InChI Key
VSHFRHVKMYGBJL-CKUXDGONSA-N
InChI
InChI=1S/C17H26N2O.ClH.H2O/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);1H;1H2/t15-;;/m0../s1
IUPAC Name
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrate hydrochloride
SMILES
O.Cl.CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
PubChem Compound
175804
ChemSpider
5293325
ChEBI
34954
Wikipedia
Ropivacaine
Predicted Properties
PropertyValueSource
Water Solubility0.253 mg/mLALOGPS
logP2.91ALOGPS
logP4.07Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)13.62Chemaxon
pKa (Strongest Basic)7.82Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area32.34 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity85.59 m3·mol-1Chemaxon
Polarizability32.65 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon