Basic information
- CAS
185376-97-0- Standard SMILES
COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1- InChIKey
HZZZZODVDSHQRG-UHFFFAOYSA-N- Molecular formula
- C27H31F3N4O7S
- Average molar mass
- 612.6 g/mol
- Monoisotopic mass
- 612.186555
Overview
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide is an aromatic ketone.
Names & identifiers
- Preferred name
- RS-102221
- IUPAC
- N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
- English name
- RS 102221 hydrochloride
- Molecular formula
- C27H31F3N4O7S
- Molecular weight
- 612.62
Names & synonyms
RS-102221RS102221N-(5-(5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamideRS-102,221RS 10222148D22QR8GYN-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamideN-(5-(5-(2,4-dioxo-1,3,8-triazaspiro(4.5)decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamideRefChem:930931185376-97-0Tocris-1050Biomol-NT_000133
Show more names
RS102221HClRS 102221 hydrochlorRS 102221 hydrochloride4-dione hydrochloride hydrateRS-102221 hydrochloride hydrate8-[5-(2,4-Dimethoxy-5-(4-trifluoromethylphenylsulfonamido)phenyl-5-oxopentyl]-1,3,8-triazaspiro[4.8-[5-(2,4-Dimethoxy-5-(4-trifluoromethylphenylsulphonam ido)phenyl-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-28-[5-(2,4-Dimethoxy-5-(4-trifluoromethylphenylsulfonamido)phenyl-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dionehy
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- Density
- 1.45 · 1.45
- storage temp.
- Store at RT
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- color
- white
- InChIKey
- IGACJTZTAQBWKN-UHFFFAOYSA-N
- SMILES
- O.Cl.COc1cc(OC)c(cc1NS(=O)(=O)c2ccc(cc2)C(F)(F)F)C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O
- FDA UNII
- 48 D22QR8GY · 48D22QR8GY
- UNSPSC Code
- 12352202 · 12352202
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesRS 102221 Hydrochloride is a selective 5-HT2C receptor antagonist.
Suppliers7 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Additional notes
DefinitionChEBI: N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide is an aromatic ketone.
Related reactions
1 records
Compound notes
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