Levomilnacipran hydrochloride - ≥97% , Norepinephrine transporter inhibitor, CAS No.175131-60-9, Norepinephrine transporter inhibitor

CAS: 175131-60-9 Cat. No.: L174987 Molecular Weight: 282.81 EC Number: 807-579-6

GRADE & PURITY ≥97%

Synonyms

(1S-cis)-Milnacipran Hydrochloride | A899431 | Midalcipran hydrochloride | 371U2ZK31U | F 2695 hydrochloride | F-2695 HYDROCHLORIDE | Milnacipran Hydrochloride 1.0 mg/ml in Methanol (as free base) | MILNACIPRAN HYDROCHLORIDE, (1S,2R)- | (1S,2R)-2-(aminome

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(1S-cis)-Milnacipran Hydrochloride | A899431 | Midalcipran hydrochloride | 371U2ZK31U | F 2695 hydrochloride | F-2695 HYDROCHLORIDE | Milnacipran Hydrochloride 1.0 mg/ml in Methanol (as free base) | MILNACIPRAN HYDROCHLORIDE, (1S, 2R)- | (1S, 2R)-2-(aminome

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Norepinephrine transporter inhibitor

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764340
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764340
• Canonical Smiles: CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2.Cl
• IUPAC Name: (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydrochloride
• InChIKey: XNCDYJFPRPDERF-NQQJLSKUSA-N
• 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
• Isomeric SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2.Cl
• Molecular Weight: 282.81
• Reaxy-Rn: 11213530
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11213530&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Aralkylamines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Aralkylamine - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 282.810 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 282.15 Da
• Monoisotopic Mass: 282.15 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3