Ropivacaine

C₁₇H₂₆N₂OCAS 84057-95-4274.41 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₁₇H₂₆N₂O
Molar mass: 274.41 g/mol
Exact mass: 274.2045 Da
Melting point: 144–146 °C
logP: 4.16Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled60% of notifiers
H412 Harmful to aquatic life with long lasting effects73.3% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

84057-95-4

SMILES

CCCN1CCCC[C@H]1C(O)=Nc1c(C)cccc1C

InChIKey

ZKMNUMMKYBVTFN-HNNXBMFYSA-N

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

Weigh it out

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

Names and synonyms

13 names · show all

2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, (2S)-
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, (S)-
(2S)-N-(2,6-Dimethylphenyl)-1-propyl-2-piperidinecarboxamide
LEA 103
(-)-LEA 103
(-)-Ropivacaine
(S)-(-)-Ropivacaine
Naropeine
Naropine
Narop
S-Ropivacaine
Anapeine
(2S)-N-(2,6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide

Work with Ropivacaine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Ropivacaine98717-16-9Enantiomer Ropivacaine hydrochloride98717-15-8Salt Ropivacaine hydrochloride monohydrate132112-35-7Salt Ropivacaine mesylate854056-07-8Salt

Similar compounds

Bupivacaine2180-92-990 % similar (-)-Bupivacaine27262-47-190 % similar Bupivacaine hydrochloride14252-80-384 % similar Bupivacaine hydrochloride18010-40-784 % similar (-)-Bupivacaine monohydrochloride27262-48-284 % similar Mepivacaine22801-44-167 % similar Mepivacaine hydrochloride1722-62-963 % similar 2′,6′-Pipecoloxylidide15883-20-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-N,N-diisopropyltryptamine4021-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook