Tetryzoline information

Tetryzoline
Clinical data
ATC code	R01AA06 (WHO) S01GA02 (WHO);
Identifiers
	IUPAC name (RS)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;
CAS Number	84-22-0;
PubChem CID	5419;
ChemSpider	5226 ;
UNII	S9U025Y077;
KEGG	D08578 ;
ChEBI	CHEBI:28674 ;
ChEMBL	ChEMBL1266 ;
CompTox Dashboard (EPA)	DTXSID1047861 ;
ECHA InfoCard	100.001.384
Chemical and physical data
Formula	C13H16N2
Molar mass	200.285 g·mol−1
3D model (JSmol)	Interactive image;
Melting point	117–119 °C (243–246 °F) 256–257 °C (493–495 °F) for HCl-salt
Solubility in water	Very soluble in water and ethanol, slightly soluble in chloroform and insoluble in diethylether
	SMILES N\1=C(\NCC/1)C3c2ccccc2CCC3;
	InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15) ; Key:BYJAVTDNIXVSPW-UHFFFAOYSA-N ;
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Tetryzoline (INN),^[3] also known as tetrahydrozoline, is a drug used in some over-the-counter eye drops and nasal sprays. Tetryzoline was patented in 1954, and came into medical use in 1959.^[4]

^ US 2731471, Synerholm M, Jules LH, Sahyun M, "Imidazoline Derivatives", issued 17 January 1956, assigned to Sahyun Laboratories.
^ ^a ^b Budavari S, O'Neil M, Smith A, Heckelman P, Obenchain J (2000). The Merck Index (12th ed.). Whitehouse Station, NJ, United States: Chapman & Hall Electronic Publishing Division. p. 1453. ISBN 978-1-58488-129-2. OCLC 46987702.
^ Cite error: The named reference WHOINN was invoked but never defined (see the help page).
^ Fischer J, Ganellin CR (2006). Analogue-based Drug Discovery. John Wiley & Sons. p. 552. ISBN 978-3-527-60749-5.

[1] US 2731471, Synerholm M, Jules LH, Sahyun M, "Imidazoline Derivatives", issued 17 January 1956, assigned to Sahyun Laboratories.

[:mer-2] Budavari S, O'Neil M, Smith A, Heckelman P, Obenchain J (2000). The Merck Index (12th ed.). Whitehouse Station, NJ, United States: Chapman & Hall Electronic Publishing Division. p. 1453. ISBN 978-1-58488-129-2. OCLC 46987702.

[WHOINN-3] Cite error: The named reference WHOINN was invoked but never defined (see the help page).

[Fis2006-4] Fischer J, Ganellin CR (2006). Analogue-based Drug Discovery. John Wiley & Sons. p. 552. ISBN 978-3-527-60749-5.

Tetryzoline information

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Clinical data

ATC code	R01AA06 (WHO) S01GA02 (WHO)
Identifiers
IUPAC name (RS)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CAS Number	84-22-0
PubChem CID	5419
ChemSpider	5226^Y
UNII	S9U025Y077
KEGG	D08578^Y
ChEBI	CHEBI:28674^Y
ChEMBL	ChEMBL1266^Y
CompTox Dashboard (EPA)	DTXSID1047861
ECHA InfoCard	100.001.384
Chemical and physical data
Formula	C₁₃H₁₆N₂
Molar mass	200.285 g·mol⁻¹
3D model (JSmol)	Interactive image
Melting point	117–119 °C (243–246 °F) ^[1] 256–257 °C (493–495 °F) for HCl-salt^[2]
Solubility in water	Very soluble in water and ethanol, slightly soluble in chloroform and insoluble in diethylether^[2]
SMILES N\1=C(\NCC/1)C3c2ccccc2CCC3
InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)^Y Key:BYJAVTDNIXVSPW-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)