Basic information
- CAS
95669-35-5- Standard SMILES
CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O- InChIKey
VSQCTWPNMPWYSD-WBVHZDCISA-N- Molecular formula
- C17H27N3O4S2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.1442987
Overview
RN given refers to (trans)-isomer; RN for cpd without isomeric designation not in Chemline 4/87; structure given in first source
Names & identifiers
- Preferred name
- Wy 27127
- IUPAC
- N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]ethyl]methanesulfonamide
- English name
- Wy 27127
- Molecular formula
- C17H27N3O4S2
- Molecular weight
- 401.55
Names & synonyms
Wy 2712795669-35-5Wy-27127RefChem:195053N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]ethyl]methanesulfonamideCHEMBL53749orb1741240SCHEMBL10649977DTXSID80914878PDSP2_001641T68241Methanesulfonamide, N-(1,3,4,6,7,11b-hexahydro-2H-benzo(1)quinolizin-2-yl)-N-(2-((methylsulfonyl)amino)ethyl)-, trans-
Show more names
N-((2β,11bα)-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizin-2-yl)-N-ethyl>methanesulfonamideMethanesulfonamide, N-[(2R,11bS)-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-yl]-N-[2-[(methylsulfonyl)amino]ethyl]-, rel-
N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-N-{2-[(methanesulfonyl)amino]ethyl}methanesulfonamideN-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
Database identifiers
- CAS
95669-35-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Boiling point
- 572 · 572.0±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 10.29 · 10.29±0.40(Predicted)
Chemistry & industry
Applications
DescriptionWy 27127 is an alpha 2-adrenoceptors antagonist that has estimated potency based on ability to block clonidine-induced inhibition of electrically-evoked contractions of the rat isolated vas deferens.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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