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ISAMOLTANE HEMIFUMARATE

ISAMOLTANE HEMIFUMARATE structure

ISAMOLTANE HEMIFUMARATE 

structure
  • CAS No:

    55050-95-8

  • Formula:

    C16H22N2O2

  • Chemical Name:

    ISAMOLTANE HEMIFUMARATE

  • Synonyms:

    1-[(1-Methylethyl)amino]-3-[2-(1H-pyrrol-1-yl)phenoxy]propan-2-ol fumarate (2:1) salt;1-[(1-Methylethyl)amino]-3-[2-(1H-pyrrol-1-yl)phenoxy]-2-propanol;CG-361A;2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-1-yl)phenoxy)-;Isamoltanum;Isamoltanum [latin];1-((1-Methylethyl)amino)-3-(2-((1H)-pyrrol-1-yl))propan-2-olhemifumarate;1-(2-(1H-Pyrrol-1-yl)phenoxy)-3-(isopropylamino)propan-2-ol hemifumarate

Description

1-(propan-2-ylamino)-3-[2-(1-pyrrolyl)phenoxy]-2-propanol is a member of pyrroles.

ISAMOLTANE HEMIFUMARATE Basic Attributes

274.36

274.36

DTXSID5045671

Characteristics

46.42000

2.60590

1.09±0.1 g/cm3(Predicted)

443.4±40.0 °C(Predicted)

486.4ºC

Desiccate at +4ºC

13.76±0.20(Predicted)

Desiccate at +4°C

Drug Information

Drugs that bind to but do not activate SEROTONIN 5-HT1 RECEPTORS, thereby blocking the actions of SEROTONIN 5-HT1 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more of the specific 5-HT1 receptor subtypes. (See all compounds classified as Serotonin 5-HT1 Receptor Antagonists.)

1-(2-(1-pyrrolyl)phenoxy)-3-isopropylamine-2-propanol HCl

ISAMOLTANE HEMIFUMARATE Use and Manufacturing

Isamoltane hemifumarate is a selective SR-1B antagonist.

Computed Properties

Molecular Weight:274.36
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:274.168127949
Monoisotopic Mass:274.168127949
Topological Polar Surface Area:46.4
Heavy Atom Count:20
Complexity:267
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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