Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
6ZZ3B7NZ0B
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N6O2
Molecular Weight 442.5129
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 02:15:24 EDT 2020
Edited by admin on Thu Mar 26 02:15:24 EDT 2020
Structure of XILIERTINIB

Systematic Names:

  • None recorded
  • {{name}}

SMILES

[H][C@]12CCN(C)[C@@]1([H])CN(C2)C(=O)NC3=CC4=C(NC5=CC=CC(=C5)C#C)N=CN=C4C=C3OC

InChI

FSXCKIBROURMFT-VGSWGCGISA-N
InChI=1S/C25H26N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,22H,8-9,13-14H2,2-3H3,(H,29,32)(H,26,27,28)/t17-,22+/m1/s1
Name Type Language Details References
XILIERTINIB
Domain Jurisdiction Naming Organization
drug  
INN  
Official Name
English  
THELIATINIB
Common Name
English  
XILIERTINIB [INN]
Common Name
English  
HMPL-309
Code
English  
THELIATINIB [WHO-DD]
Common Name
English  
PYRROLO(3,4-B)PYRROLE-5(1H)-CARBOXAMIDE, N-(4-((3-ETHYNYLPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)HEXAHYDRO-1-METHYL-, (3AR,6AR)-
Systematic Name
English  
(3AR,6AR)-N-(4-((3-ETHYNYLPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)HEXAHYDRO-1-METHYLPYRROLO(3,4-B)PYRROLE-5(1H)-CARBOXAMIDE
Systematic Name
English  
Code System Code Type Description References
PUBCHEM
54759275
Created by admin on Thu Mar 26 02:15:24 EDT 2020 , Edited by admin on Thu Mar 26 02:15:24 EDT 2020
PRIMARY
INN
10897
Created by admin on Thu Mar 26 02:15:24 EDT 2020 , Edited by admin on Thu Mar 26 02:15:24 EDT 2020
PRIMARY
CAS
1353644-70-8
Created by admin on Thu Mar 26 02:15:24 EDT 2020 , Edited by admin on Thu Mar 26 02:15:24 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 02:15:24 EDT 2020 , Edited by admin on Thu Mar 26 02:15:24 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:15:24 EDT 2020 , Edited by admin on Thu Mar 26 02:15:24 EDT 2020
Created Thu Mar 26 02:15:24 EDT 2020
Created By admin
Last Edited Thu Mar 26 02:15:24 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 PUBCHEM PUBCHEM PUBLIC_DOMAIN_RELEASE NOMEN
2 STN STN (SCIFINDER)
3 https://www.selleckchem.com/products/theliatinib-hmpl-309.html WEB PAGE
4 dump-public-2020-03-25.gsrs BATCH_IMPORT Thu Mar 26 02:15:22 EDT 2020
5 Scifinder Commercial Sources STN (SCIFINDER)
6 https://www.medkoo.com/products/7434 WEB PAGE PUBLIC_DOMAIN_RELEASE
7 INN 121 INN_LIST NOMEN PUBLIC_DOMAIN_RELEASE
8 WHO DRUG DICTIONARY 2019 WHO DRUG DICTIONARY

Molecular Formula C25H26N6O2
Molecular Weight 442.5129
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED