Ropivacaine hydrochloride

C₁₇H₂₇ClN₂OCAS 98717-15-8310.87 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₁₇H₂₇ClN₂O
Molar mass: 310.87 g/mol
Exact mass: 310.1812 Da
Melting point: 260–262 °C
logP: 4.58Crippen 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 swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98717-15-8

SMILES

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

InChIKey

NDNSIBYYUOEUSV-RSAXXLAASA-N

InChI

InChI=1S/C17H26N2O.ClH/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/t15-;/m0./s1

Weigh it out

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

Names and synonyms

5 names

2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, hydrochloride (1:1), (2S)-
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, (S)-
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, (2S)-
AL 381
Naropin

Work with Ropivacaine hydrochloride

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.

Ropivacaine hydrochloride monohydrate132112-35-7Hydrate Ropivacaine84057-95-4Free base (+)-Ropivacaine98717-16-9Free base, enantiomer Ropivacaine mesylate854056-07-8Salt

Similar compounds

Bupivacaine hydrochloride14252-80-391 % similar Bupivacaine hydrochloride18010-40-791 % similar (-)-Bupivacaine monohydrochloride27262-48-291 % similar Bupivacaine2180-92-984 % similar (-)-Bupivacaine27262-47-184 % similar Mepivacaine hydrochloride1722-62-969 % similar Mepivacaine22801-44-163 % similar 2′,6′-Pipecoloxylidide15883-20-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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