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95E

Summary
Name:Ethambutol
Formula:C10 H24 N2 O2
Formal charge:0
Formula weight:204.31 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-2-[2-[[(2~{S})-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyInChI1.03AEUTYOVWOVBAKS-UWVGGRQHSA-N
SMILES_CANONICALCACTVS3.385CC[C@@H](CO)NCCN[C@@H](CC)CO
SMILESCACTVS3.385CC[CH](CO)NCCN[CH](CC)CO
SMILES_CANONICALOpenEye OEToolkits2.0.6CC[C@@H](CO)NCCN[C@@H](CC)CO
SMILESOpenEye OEToolkits2.0.6CCC(CO)NCCNC(CC)CO

217705

PDB entries from 2024-03-27

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