chempirical

Ropivacaine hydrochloride monohydrate

C17H29ClN2O2CAS 132112-35-7328.88 g/mol

Open in Covalent MOL file
NONHHClH2O
Tertiary amine

Properties

Molecular formula
C17H29ClN2O2
Molar mass
328.88 g/mol
Exact mass
328.1918 Da
Melting point
269.5–270.6 °C
logP
3.75Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132112-35-7
SMILES
CCCN1CCCC[C@H]1C(O)=Nc1c(C)cccc1C.Cl.O
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, hydrochloride, hydrate (1:1:1), (2S)-
  • 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, monohydrate, (2S)-
  • (2S)-2-[(Dimethylphenyl)carbamoyl]-1-propylpiperidin-1-ium chloride monohydrate
  • 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, monohydrate, (S)-

Work with Ropivacaine hydrochloride monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ropivacaine hydrochloride98717-15-893 % similar Ropivacaine84057-95-487 % similar (+)-Ropivacaine98717-16-987 % similar Bupivacaine hydrochloride14252-80-385 % similar Bupivacaine hydrochloride18010-40-785 % similar (-)-Bupivacaine monohydrochloride27262-48-285 % similar Bupivacaine2180-92-979 % similar (-)-Bupivacaine27262-47-179 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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