68H

?

Summary

Name:SALBUTAMOL
Formula:C13 H21 N O3
Formal charge:0
Molecular weight:239.311 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.14-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
SMILESCACTVS3.352CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O
SMILESOpenEye OEToolkits1.6.1CC(C)(C)NCC(c1ccc(c(c1)CO)O)O
InChIInChI1.03InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyInChI1.03NDAUXUAQIAJITI-LBPRGKRZSA-N
171916
PDB entries from 2020-12-02