Ropivacaine mesylate

C₁₈H₃₀N₂O₄SCAS 854056-07-8370.51 g/mol

Open in Covalent MOL file

Amide Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₈H₃₀N₂O₄S
Molar mass: 370.51 g/mol
Exact mass: 370.1926 Da
logP: 3.01Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

854056-07-8

SMILES

CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.CS(=O)(=O)O

InChIKey

YPTSIOMXZOPKAF-RSAXXLAASA-N

InChI

InChI=1S/C17H26N2O.CH4O3S/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;1-5(2,3)4/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H3,(H,2,3,4)/t15-;/m0./s1

Weigh it out

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Work with Ropivacaine mesylate

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.

Methanesulfonic acid75-75-2Free acid Ropivacaine84057-95-4Free base (+)-Ropivacaine98717-16-9Free base, enantiomer Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt

Similar compounds

Bupivacaine2180-92-945 % similar (-)-Bupivacaine27262-47-145 % similar Bupivacaine hydrochloride14252-80-343 % similar Bupivacaine hydrochloride18010-40-743 % similar (-)-Bupivacaine monohydrochloride27262-48-243 % similar Mepivacaine22801-44-134 % similar Mepivacaine hydrochloride1722-62-932 % similar [(2,6-Dimethylphenyl)amino](oxo)acetic acid2903-48-232 % similar

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

Elsewhere

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