Scopine hydrochloride - ≥97% , CAS No.85700-55-6

CAS: 85700-55-6 Cat. No.: S357881 Molecular Weight: 191.66 EC Number: 288-237-8 PubChem CID: 24720972

GRADE & PURITY ≥97%

Synonyms

(1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride | (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol hydrochloride | SMR004702896 | BBBRAOXIMQHVCR-QYRWGYAXSA-N | MFCD0005

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Scopine hydrochloride (6,7-Epoxytropine hydrochloride) is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock.

Scopine hydrochloride is a metabolite of Scopolamine (HY-N0296) and brain-targeting compound. Scopine hydrochloride significantly increases the brain exposure of Chlorambucil and enhances its anti-glioma activity. Scopine hydrochloride can be used in targeted therapy research for brain gliomas.

Specifications

Synonyms

(1alpha, 2beta, 4beta, 5alpha, 7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride | (1alpha, 2beta, 4beta, 5alpha, 7beta)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol hydrochloride | SMR004702896 | BBBRAOXIMQHVCR-QYRWGYAXSA-N | MFCD0005

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1C2CC(CC1C3C2O3)O.Cl
• IUPAC Name: (1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride
• InChIKey: BBBRAOXIMQHVCR-QYRWGYAXSA-N
• INCHI: 1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+
• Isomeric SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O.Cl
• PubChem CID: 24720972
• Molecular Weight: 191.66

Chemical and Physical Properties

• Solubility: DMSO: 15 mg/mL；Ethanol: <1 mg/mL (<1 mM)
• Sensitivity: Moisture sensitive
• Molecular Weight: 191.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.071 Da
• Monoisotopic Mass: 191.071 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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