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rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide

rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide structure

CAS No:
163163-23-3
Formula:
C15H20N2O4S
Chemical Name:
rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide
Synonyms:
Ethanesulfonamide,N-[(3R,4S)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methyl-,rel-;Ethanesulfonamide,N-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-,trans-(±)-;rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide;293B;Ethanesulfonamide,N-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-,trans-;Chromanol 293B;Chromanol 239B;184475-24-9

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Description

Chromanol 293B is a 1-benzopyran.

rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide Basic Attributes

Molecular Weight：

324.4

Exact Mass：

324.40

DSSTox ID：

DTXSID00167526|DTXSID60349649

Characteristics

PSA：

99 Å²

Appearance：

white solid

Density：

1.33±0.1 g/cm3(Predicted)

Boiling Point：

474.1±55.0 °C(Predicted)

Water Solubility：

DMSO: 18 mg/mL

Storage Conditions：

−20°C

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37-7/9

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

A class of drugs that act by inhibition of potassium efflux through cell membranes. Blockade of potassium channels prolongs the duration of ACTION POTENTIALS. They are used as ANTI-ARRHYTHMIA AGENTS and VASODILATOR AGENTS. (See all compounds classified as Potassium Channel Blockers.)

MeSH Entry Terms：

293B cpd

rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide Use and Manufacturing

Blocker of the slow delayed rectifier K + current (I Ks ) (IC 50 = 1-10 μ M). Also blocks the CFTR chloride current (I CFTR ) (IC 50 = 19 μ M).

Computed Properties

Molecular Weight:324.4
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:324.11437830
Monoisotopic Mass:324.11437830
Topological Polar Surface Area:99
Heavy Atom Count:22
Complexity:560
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

rel-N-[(3R,4S)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methylethanesulfonamide

SDS

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