2TN

2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE

Created:2006-11-16
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6
2D diagram of 2TN

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Chemical Component Summary

Name2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE
SynonymsATENOLOL
Systematic Name (OpenEye OEToolkits)2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide
FormulaC14 H22 N2 O3
Molecular Weight266.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1
SMILESCACTVS3.341CC(C)NC[CH](O)COc1ccc(CC(N)=O)cc1
SMILESOpenEye OEToolkits1.5.0CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
Canonical SMILESCACTVS3.341 CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
InChIInChI1.03 InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKeyInChI1.03 METKIMKYRPQLGS-GFCCVEGCSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB06987 
Name(R)-Atenolol
Groups experimental
Synonyms
  • (+)-Atenolol
  • (R)-(+)-Atenolol
  • (R)-Atenolol
CAS number56715-13-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
LactotransferrinMKLVFLVLLFLGALGLCLAGRRRSVQWCAVSQPEATKCFQWQRNMRKVRG...unknown
Group IIE secretory phospholipase A2MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 180559
ChEMBL CHEMBL1230004
ChEBI CHEBI:55352
CCDC/CSD DETHIU, JIRWIR
COD 2211565, 2016363