CHEBI:83932 - (R,R)-tubulozole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R,R)-tubulozole
ChEBI ID CHEBI:83932
ChEBI ASCII Name (R,R)-tubulozole
Definition An ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have R-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H23Cl2N3O4S
Net Charge 0
Average Mass 508.41700
Monoisotopic Mass 507.07863
InChI InChI=1S/C23H23Cl2N3O4S/c1-2-30-22(29)27-17-4-6-19(7-5-17)33-13-18-12-31-23(32-18,14-28-10-9-26-15-28)20-8-3-16(24)11-21(20)25/h3-11,15,18H,2,12-14H2,1H3,(H,27,29)/t18-,23+/m1/s1
InChIKey OGPIBXIQNMQSPY-JPYJTQIMSA-N
SMILES CCOC(=O)Nc1ccc(SC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
ChEBI Ontology
Outgoing (R,R)-tubulozole (CHEBI:83932) is a ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate (CHEBI:83931)
(R,R)-tubulozole (CHEBI:83932) is enantiomer of (S,S)-tubulozole (CHEBI:83933)
Incoming tubulozole (CHEBI:83928) has part (R,R)-tubulozole (CHEBI:83932)
(S,S)-tubulozole (CHEBI:83933) is enantiomer of (R,R)-tubulozole (CHEBI:83932)
IUPAC Name
ethyl [4-({[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate
Registry Number Type Source
25782517 Reaxys Registry Number Reaxys
Last Modified
28 November 2014