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[³H]nemonapride , CAS No.H614183, Antagonist of D 2 receptor;Antagonist of D 3 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 156333

In stock

Item Number

H614183

Grouped product items
SKU	Size	Availability	Price	Qty
H614183-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$900.90
H614183-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

D2 receptor Antagonist (53) D3 receptor Antagonist (34)

Basic Description

Synonyms	nemonapride \| Emonapride \| 75272-39-8 \| Emilace \| [3H]nemonapride \| (+)-nemonapride \| (2R,3R)-nemonapride \| N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide \| CHEBI:64219 \| N-(Cis-1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of D 2 receptor;Antagonist of D 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzamides
Alternative Parents	3-halobenzoic acids and derivatives Aminophenyl ethers Benzamides Methoxyanilines Anisoles Benzoyl derivatives Benzylamines Phenylmethylamines Methoxybenzenes Phenoxy compounds Phenylalkylamines Chlorobenzenes Alkyl aryl ethers Secondary alkylarylamines N-alkylpyrrolidines Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzamide - Aminophenyl ether - Methoxyaniline - Benzamide - Phenylmethylamine - Phenol ether - Benzylamine - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Anisole - Methoxybenzene - Chlorobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Halobenzene - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
External Descriptors	N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
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

Associated Targets(Human)

DRD2 Tclin D(2) dopamine receptor (1 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD4 Tchem D(4) dopamine receptor (0 Activities)

Discover Target: DRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TMEM97 Tchem Sigma intracellular receptor 2 (0 Activities)

Discover Target: TMEM97

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD3 Tclin D(3) dopamine receptor (1 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	5-chloro-2-methoxy-4-methylamino-N-[(2R,3R)-2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide
INCHI	InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1
InChIKey	KRVOJOCLBAAKSJ-RDTXWAMCSA-N
Smiles	COc1cc(NC)c(cc1C(=O)N[C@@H]1CCN([C@@H]1C)Cc1ccccc1)Cl
Isomeric SMILES	C[C@@H]1[C@@H](CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl
PubChem CID	156333

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	387.900 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	387.171 Da
Monoisotopic Mass	387.171 Da
Topological Polar Surface Area	53.600 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	486.000
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	1

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