RS 102221 hydrochloride - ≥97% , CAS No.187397-18-8

CAS: 187397-18-8 Cat. No.: R274634 Molecular Weight: 649.08 PubChem CID: 18931299

GRADE & PURITY ≥97%

Synonyms

SR-01000597830 | DK42AGJ62K | RS102221 hydrochloride | RS-102221 hydrochloride | N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride | SCHEMBL8815714 | RS-102221 HCl | RS

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SR-01000597830 | DK42AGJ62K | RS102221 hydrochloride | RS-102221 hydrochloride | N-[5-[5-(2, 4-dioxo-1, 3, 8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2, 4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride | SCHEMBL8815714 | RS-102221 HCl | RS

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Selective, high affinity 5-HT 2C receptor antagonist (pK i = 8.4). Displays\xa0approximately 100-fold selectivity over the 5-HT 2A and 5-HT 2B subtypes and > 100-fold selectivity over other 5-HT receptors, \xa0α- and β-adrenergic and muscarinic ACh recepto

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

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 month. 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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768782
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768782
• Canonical Smiles: COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC.Cl
• IUPAC Name: N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
• InChIKey: SZJZEJZLRDIHPB-UHFFFAOYSA-N
• INCHI: 1S/C27H31F3N4O7S.ClH/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26;/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37);1H
• Isomeric SMILES: COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC.Cl
• PubChem CID: 18931299
• Molecular Weight: 649.08

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Molecular Weight: 649.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 648.163 Da
• Monoisotopic Mass: 648.163 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1080.000
• 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

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