EJ4

(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol



Chemical Component Summary

Name(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
SynonymsNaltrindole
Identifiersn/a
FormulaC26 H26 N2 O3
Molecular Weight414.496
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
InChIInChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChIKeyWIYUZYBFCWCCQJ-IFKAHUTRSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count4
Bond Count64
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL567175
PubChem 5497186
ChEMBL CHEMBL567175
ChEBI CHEBI:81528
CCDC/CSD VONXUU