ChemicalBook--->CAS DataBase List--->93101-02-1

93101-02-1

93101-02-1 Structure

93101-02-1 Structure
IdentificationBack Directory
[Name]

BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]-
[CAS]

93101-02-1
[Synonyms]

W-18
W-18 (CRM)
w-18 Skype:honestcooperation
1-(4-Nitrophenylethyl)piperidylidene-2-(4-chlorophenyl)sulfonaMide
4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonaMide
4-Chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide
BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]-
(NZ)-4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C19H20ClN3O4S
[MDL Number]

MFCD23703067
[MOL File]

93101-02-1.mol
[Molecular Weight]

421.9
Chemical PropertiesBack Directory
[Boiling point ]

601.4±65.0 °C(Predicted)
[density ]

1.39
[solubility ]

DMF: 3 mg/ml; DMSO: 3 mg/ml; Ethanol: 5 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
[form ]

A neat solid
[pka]

-0.80±0.20(Predicted)
[InChI]

InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2
[InChIKey]

BKRSVROQVRTSND-UHFFFAOYSA-N
[SMILES]

C1(S(N=C2CCCCN2CCC2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CC=C(Cl)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

W-18-d4 is the isotope labelled analog of W-18 (W400005); an analog of the ??-opioid receptor agonist fentanyl. It has been shown to be a potent analgesic in the mouse phenylquinone writhing assay.
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