U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N6O2
Molecular Weight 442.5139
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XILIERTINIB

SMILES

C#Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OC)N=C(N4C[C@@]5([H])CCN(C)[C@@]5([H])C4)O

InChI

InChIKey=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

HIDE SMILES / InChI

Molecular Formula C25H26N6O2
Molecular Weight 442.5139
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:14:08 UTC 2021
Edited
by admin
on Sat Jun 26 13:14:08 UTC 2021
Record UNII
6ZZ3B7NZ0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THELIATINIB
Preferred Name English
XILIERTINIB
INN  
Official Name English
XILIERTINIB [INN]
Common Name English
HMPL-309
Code 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
XILIERTINIB [WHO-DD]
Common 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
PUBCHEM
54759275
Created by admin on Sat Jun 26 13:14:08 UTC 2021 , Edited by admin on Sat Jun 26 13:14:08 UTC 2021
PRIMARY
INN
10897
Created by admin on Sat Jun 26 13:14:08 UTC 2021 , Edited by admin on Sat Jun 26 13:14:08 UTC 2021
PRIMARY
CAS
1353644-70-8
Created by admin on Sat Jun 26 13:14:08 UTC 2021 , Edited by admin on Sat Jun 26 13:14:08 UTC 2021
PRIMARY
NCI_THESAURUS
C162552
Created by admin on Sat Jun 26 13:14:08 UTC 2021 , Edited by admin on Sat Jun 26 13:14:08 UTC 2021
PRIMARY
FDA UNII
6ZZ3B7NZ0B
Created by admin on Sat Jun 26 13:14:08 UTC 2021 , Edited by admin on Sat Jun 26 13:14:08 UTC 2021
PRIMARY
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