Showing RIpred-Card for Ubrogepant,2TMS,isomer#1 (RI01722433)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722433
Compound Identification
Common NameUbrogepant,2TMS,isomer#1
Structure
Average Molecular Weight693.2778
SMILESC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C)C2=NC=CC=C24)[Si](C)(C)C)C(=O)N1CC(F)(F)F
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4658.3022
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices