Levomilnacipran hydrochloride

C₁₅H₂₃ClN₂OCAS 175131-60-9282.81 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₁₅H₂₃ClN₂O
Molar mass: 282.81 g/mol
Exact mass: 282.1499 Da
logP: 2.19Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5
Stereocentres: S, Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

175131-60-9

SMILES

CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2.Cl

InChIKey

XNCDYJFPRPDERF-NQQJLSKUSA-N

InChI

InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1

Weigh it out

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

Names and synonyms

1 names

(1S-Cis)-milnacipran hydrochloride

Work with Levomilnacipran 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.

Milnacipran92623-85-3Free base Milnacipran hydrochloride101152-94-7

Similar compounds

Doxapram hydrochloride hydrate7081-53-043 % similar 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-438 % similar Methadone hydrochloride1095-90-536 % similar N,N-Diethylbenzamide1696-17-936 % similar Benactyzine hydrochloride57-37-436 % similar Adiphenine hydrochloride50-42-035 % similar Oxybutynin hydrochloride1508-65-233 % similar β-Methylbenzeneethanamine hydrochloride20388-87-833 % similar

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

Same formula

Mepivacaine hydrochloride1722-62-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook