1JE

[(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid


Toggle HydrogenToggle Labels

Chemical Component Summary

Name[(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
Identifiers2-[(1R)-5,8-bis(chloranyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid
FormulaC16 H17 Cl2 N O3
Molecular Weight342.217
TypeNON-POLYMER
Isomeric SMILESCCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O
InChIInChI=1S/C16H17Cl2NO3/c1-2-6-16(8-12(20)21)15-9(5-7-22-16)13-10(17)3-4-11(18)14(13)19-15/h3-4,19H,2,5-8H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyDKHFCUNJXIAWGU-MRXNPFEDSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count41
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 5273770
ChEMBL CHEMBL373381