Metoclopramide hydrochloride - ≥95% , CAS No.7232-21-5

CAS: 7232-21-5 Cat. No.: B301383 Molecular Weight: 336.26 EC Number: 230-634-5 PubChem CID: 23659

GRADE & PURITY ≥95%

Synonyms

NCGC00094102-01 | o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-, monohydrochloride | Opera_ID_1671 | 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide monohydrochloride | HS-0006 | 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisam

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NCGC00094102-01 | o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-, monohydrochloride | Opera_ID_1671 | 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide monohydrochloride | HS-0006 | 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisam

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

D2 antagonist; 5-HT3 antagonist; antipsychotic; anti-emetic.

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488182836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182836
• Canonical Smiles: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl
• IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride
• InChIKey: RVFUNJWWXKCWNS-UHFFFAOYSA-N
• INCHI: 1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H
• Isomeric SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl
• WGK Germany: 3
• RTECS: BZ3325000
• PubChem CID: 23659
• Molecular Weight: 336.26

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 Methoxyanilines Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Hydrochloride - Organic oxygen compound - Organic oxide - Primary amine - Aromatic homomonocyclic 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: 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

Associated Targets(Human)

ESR2 Tclin Estrogen receptor beta (9272 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: soluble
• Molecular Weight: 336.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 335.117 Da
• Monoisotopic Mass: 335.117 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

1. Zhiqin Liu, Yufeng Xu, Wei Liu, Lin Wang, Zhen Dong, Jianguo Zeng.  (2025)  Macleaya cordata protopine total alkaloids as potential treatment for diarrhoea: Mechanistic insights and target identification.  RESEARCH IN VETERINARY SCIENCE,      [PMID:40184723] [10.1016/j.rvsc.2025.105633]

2. Shiyan Liu, Xuefeng Zhang, Xin Gong, Jinxin Yu, Tao Lin, Qian Xiang, Xinnian Zeng, Jiali Liu.  (2025)  molecular and pharmacological characterization of the dopamine receptors in the oriental fruit fly, Bactrocera dorsalis.  INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:40245998] [10.1016/j.ibmb.2025.104312]