Atropine sulfate - 10mM in DMSO , CAS No.55-48-1

CAS: 55-48-1 Cat. No.: A424722 Peso molecular: 676.82 Número EC: 200-235-0

GRADE & PURITY 10mM in DMSO

Synonyms

Atropine sulfate|55-48-1|Atropette|Tropintran|Atropisol|Sulfatropinol|Atropinsulfat|KAE4PSB0Z3|Atropine sulphate|Atropine sulfate anhydrous|DTXSID3049419|Corbella|Davurtrop|Eyesule|Ryuato|Atropin siran|Atropine sulfate anhydrous (2:1) salt|Ichtho-bellol|L

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Atropine sulfate | 55-48-1 | Atropette | Tropintran | Atropisol | Sulfatropinol | Atropinsulfat | KAE4PSB0Z3 | Atropine sulphate | Atropine sulfate anhydrous | DTXSID3049419 | Corbella | Davurtrop | Eyesule | Ryuato | Atropin siran | Atropine sulfate anhydrous (2:1) salt | Ichtho-bellol | L

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
• IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid
• InChIKey: HOBWAPHTEJGALG-JKCMADFCSA-N
• INCHI: 1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16?
• Isómeros SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
• Peso molecular: 676.82
• Reaxy-Rn: 5720678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5720678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives Organic sulfate salts N-alkylpyrrolidines Quaternary ammonium salts Organic sulfuric acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Organic sulfate salt - Benzenoid - N-alkylpyrrolidine - Organic sulfuric acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic salt - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 50.0° C
• Peso molecular: 676.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 676.303 Da
• Monoisotopic Mass: 676.303 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 434.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

1. Yusheng Zhang, Xiaoyang Wu, Jie Ding, Borui Su, Zhihong Chen, Zhanwen Xiao, Chengheng Wu, Dan Wei, Jing Sun, Fang Luo, Huabing Yin, Hongsong Fan.  (2023)  Wireless-Powering Deep Brain Stimulation Platform Based on 1D-Structured Magnetoelectric Nanochains Applied in Antiepilepsy Treatment.  ACS Nano,      [PMID:37530448] [10.1021/acsnano.3c03661]

2. Liang Meng, Pinjia Meng, Bugang Tang, Qingqing Zhang, Yanji Wang.  (2013)  Molecularly imprinted photonic hydrogels for fast screening of atropine in biological samples with high sensitivity.  FORENSIC SCIENCE INTERNATIONAL,      [PMID:23890610] [10.1016/j.forsciint.2013.04.008]

3. Amin Zhang, Chongchong Miao, Hongyuan Shi, Hongkun Xiang, Chusen Huang, Nengqin Jia.  (2015)  A novel solid-state electrochemiluminescence sensor for atropine determination based on Ru(bpy)32+/carbon nanospheres/Nafion composite film.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2015.08.075]

4. Ming Shao, Yu Chai, Yutong Jiang, Xinyi Wu, Wenjie Xie, Jiayi Lu, Xuehui Fu, Yao He, Xiaofeng Zhang, Han Zhang, Zhuang Liu.  (2025)  Eye-Drop Nano-Formulation of Catalase Self-Assembled with Thiolated Chitosan for Effective Treatment of Dry Eye Disease.  ADVANCED MATERIALS,  37  (19): (2415353).  [PMID:40123221] [10.1002/adma.202415353]

5. 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]

6. Jinqiu Xu, Peipei Lu, Liangliang Cai, Wenyi Wu, Qing Zhu, Xiaofei Ma.  (2025)  Novel Y-shaped nanomicelles based on γ-cyclodextrin as chiral selector and pseudostationary phase for enantioseparation in capillary electrophoresis.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116487]