Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

OTR

Summary
Name:4-(2R-AMINO-1-HYDROXYETHYL)PHENOL
Synonyms:R-OCTOPAMINE
Formula:C8 H11 N O2
Formal charge:0
Formula weight:153.178 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(1R)-2-amino-1-hydroxyethyl]phenol
OpenEye OEToolkits1.5.04-[(1R)-2-amino-1-hydroxy-ethyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(c1ccc(O)cc1)CN
SMILES_CANONICALCACTVS3.341NC[C@H](O)c1ccc(O)cc1
SMILESCACTVS3.341NC[CH](O)c1ccc(O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@H](CN)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(CN)O)O
InChIInChI1.03InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
InChIKeyInChI1.03QHGUCRYDKWKLMG-QMMMGPOBSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon