R-(−)-Apomorphine hydrochloride hemihydrate - Moligand™, ≥98% , CAS No.41372-20-7

CAS: 41372-20-7 Cat. No.: A276058 Molecular Weight: 312.79 EC Number: 627-402-4 PubChem CID: 107882

GRADE & PURITY Moligand™, ≥98%

Synonyms

Kw-6500 | NCIOpen2_005869 | W-107235 | Apomorphine SL | KYNMOBI | NSC-755875 | (-)-Apomorphinium hydrochloride | APOMORPHINE HYDROCHLORIDE [EMA EPAR] | Apomorphine hydrochloride [USP] | Apomorphinum hydrochloricum | AT18583 | N-(4-((4-(Dimethylamino)pheny

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Kw-6500 | NCIOpen2_005869 | W-107235 | Apomorphine SL | KYNMOBI | NSC-755875 | (-)-Apomorphinium hydrochloride | APOMORPHINE HYDROCHLORIDE [EMA EPAR] | Apomorphine hydrochloride [USP] | Apomorphinum hydrochloricum | AT18583 | N-(4-((4-(Dimethylamino)pheny

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information . Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl
• IUPAC Name: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;dihydrochloride
• InChIKey: CXWQXGNFZLHLHQ-DPFCLETOSA-N
• INCHI: 1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1
• Isomeric SMILES: CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl
• PubChem CID: 107882
• Molecular Weight: 312.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Aporphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aporphines
• Alternative Parents: Phenanthrenes and derivatives Benzoquinolines Naphthols and derivatives Tetrahydroisoquinolines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - 2-naphthol - 1-naphthol - Naphthalene - Quinoline - Tetrahydroisoquinoline - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
• External Descriptors: hydrate - hydrochloride

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 50 mM
• Sensitivity: Hygroscopic ight sensitive；heat sensitive
• Melt Point(°C): 285-287 °C (lit.)
• Molecular Weight: 625.600 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 624.216 Da
• Monoisotopic Mass: 624.216 Da
• Topological Polar Surface Area: 88.400 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 374.000
• 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: 5

XLogP3

References

1. Shengwei Jia, Xiaoxia Li, Fang Wang, Hao Zhang, Qun-Dong Shen.  (2025)  Accurate Neurotransmitter Release by Ultrasound-Responsive Nanomaterials for Alleviating L-DOPA-Induced Dyskinesia in Parkinson's Disease.  Advanced Healthcare Materials,      [PMID:40685988] [10.1002/adhm.202501765]

2. Zuowen Zhang, Lan Shen, Yinyou Bai, Shishuang Li, Shumei Wang.  (2025)  WuMei-pill alleviates Parkinson's disease induced by dopamine neuron damage in mice by regulating the gut-brain-microbiome axis.  Journal of Radiation Research and Applied Sciences,      [PMID:] [10.1016/j.jrras.2025.101632]