THC Science

Cimaterol
Identifiers
	IUPAC name 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile;
CAS Number	54239-37-1;
PubChem CID	2755;
ChemSpider	2653;
UNII	ZPY8VRF0GB;
KEGG	D03502;
ChEBI	CHEBI:91807;
ChEMBL	ChEMBL1374751;
CompTox Dashboard (EPA)	DTXSID2045652 ;
ECHA InfoCard	100.160.786
Chemical and physical data
Formula	C12H17N3O
Molar mass	219.288 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O;
	InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3; Key:BUXRLJCGHZZYNE-UHFFFAOYSA-N;

Cimaterol (INN) is a beta-adrenergic agonist.^[1]

References[edit]

Identifiers

IUPAC name 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
CAS Number	54239-37-1
PubChem CID	2755
ChemSpider	2653
UNII	ZPY8VRF0GB
KEGG	D03502
ChEBI	CHEBI:91807
ChEMBL	ChEMBL1374751
CompTox Dashboard (EPA)	DTXSID2045652
ECHA InfoCard	100.160.786
Chemical and physical data
Formula	C₁₂H₁₇N₃O
Molar mass	219.288 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3 Key:BUXRLJCGHZZYNE-UHFFFAOYSA-N