4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol
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![4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7809163f31c24035a3f75ace04bd24b4.png "4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol")
4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol
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CAS No:
54063-56-8
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Formula:
C20H35NOS
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Chemical Name:
4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol
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Synonyms:
Benzenemethanol,4-[(1-methylethyl)thio]-α-[1-(octylamino)ethyl]-;4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol;1-(4-Isopropylthiophenyl)-2-n-octylaminopropanol;2-(Octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
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CAS No:
Description
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol is an alkylbenzene.|A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)
4-[(1-Methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanol Basic Attributes
337.6 g/mol
337.56
258-957-7
757852
DTXSID4045638
C - Cardiovascular system
Characteristics
57.6 Ų
62.5 °C
197.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Drug Information
Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)
CP-556S
Computed Properties
Molecular Weight:337.6
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:12
Exact Mass:337.24393591
Monoisotopic Mass:337.24393591
Topological Polar Surface Area:57.6
Heavy Atom Count:23
Complexity:277
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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