Carbuterol

Carbuterol
Clinical data
ATC code	R03CC10 (WHO) ;
Legal status
Legal status	AU: S4 (Prescription only);
Identifiers
	IUPAC name (RS)-{5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl}urea;
CAS Number	34866-47-2 ;
PubChem CID	36976;
ChemSpider	33928 ;
UNII	0N12JR32MR;
ChEMBL	ChEMBL2110780 ;
CompTox Dashboard (EPA)	DTXSID00865737 ;
ECHA InfoCard	100.047.491
Chemical and physical data
Formula	C13H21N3O3
Molar mass	267.329 g·mol−1
3D model (JSmol)	Interactive image;
Chirality	Racemic mixture
	SMILES O=C(Nc1cc(ccc1O)C(O)CNC(C)(C)C)N;
	InChI InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19) ; Key:KEMXXQOFIRIICG-UHFFFAOYSA-N ;
	(what is this?) (verify)

Carbuterol (INN; carbuterol hydrochloride USAN) is a short-acting β₂ adrenoreceptor agonist.^[1]^[2]

Synthesis

^ Wardell JR, Colella DF, Shetzline A, Fowler PJ (April 1974). "Studies on carbuterol (SK & F 40383-A), a new selective bronchodilator agent". The Journal of Pharmacology and Experimental Therapeutics. 189 (1): 167–84. PMID 4823290.
^ DE 2032642, Lunts LH, Collin DT, "1-phenyl-2-aminäthanol-Derivate und Verfahren zu ihrer Herstellung un ihre Verwendung", published 1970, assigned to Allen & Hansburys Ltd

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Clinical data

ATC code	R03CC10 (WHO)
Legal status
Legal status	AU: S4 (Prescription only)
Identifiers
IUPAC name (RS)-{5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl}urea
CAS Number	34866-47-2^Y
PubChem CID	36976
ChemSpider	33928^Y
UNII	0N12JR32MR
ChEMBL	ChEMBL2110780^N
CompTox Dashboard (EPA)	DTXSID00865737
ECHA InfoCard	100.047.491
Chemical and physical data
Formula	C₁₃H₂₁N₃O₃
Molar mass	267.329 g·mol⁻¹
3D model (JSmol)	Interactive image
Chirality	Racemic mixture
SMILES O=C(Nc1cc(ccc1O)C(O)CNC(C)(C)C)N
InChI InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)^Y Key:KEMXXQOFIRIICG-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)