Chemical Component Summary

Name4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile
SynonymsIODOCYANOPINDOLOL
Identifiers4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3-iodanyl-1H-indole-2-carbonitrile
FormulaC16 H20 I N3 O2
Molecular Weight413.253
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O
InChIInChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyJBLUMBNIBNHRSO-JTQLQIEISA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count43
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 52918356