Tolebrutinib CAS#: 1971920-73-6; ChemWhat Code: 1392411

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameTolebrutinib
Molecular StructureStructure of Tolebrutinib CAS 1971920-73-6
CAS Registry Number 1971920-73-6
Beilstein Registry Number105692
Synonyms(R)-1-(1-acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
;PRN-2246;SAR442168;
Molecular FormulaC26H25N5O3
Molecular Weight455.518
InChIInChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
InChI KeyKOEUOFPEZFUWRF-LJQANCHMSA-N
Canonical SMILESO=C(N1[C@H]2CN(C(C=C)=O)CCC2)N(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C1C=CN=C5N
Patent Information
No data available

Physical Data

AppearanceWhite powder

Spectra

Description (NMR Spectroscopy)
Spectrum
Tolebrutinib CAS#: 1971920-73-6 HNMRTolebrutinib CAS 1971920-73-6 HNMR-1
Tolebrutinib CAS 1971920-73-6 HNMR-2
Tolebrutinib CAS 1971920-73-6 HNMR-3
Tolebrutinib CAS#: 1971920-73-6 LCMSTolebrutinib CAS 1971920-73-6 LCMS-1
Tolebrutinib CAS 1971920-73-6 LCMS-2
Tolebrutinib CAS 1971920-73-6 LCMS-3

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website

Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database


Other Data

TransportationUnder the room temperature and away from light
StorageDry, dark and at 0 – 4℃ for short term (days to weeks) or -20℃ for long term (months to years).
Shelf Life3 years
Market PriceUSD
Use Pattern
It is a Bruton tyrosine kinase inhibitor.
Tolebrutinib: it is often used as the pharmaceutical intermediate.

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