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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H31FN7O6P.3H2O
Molecular Weight 641.5856
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARASERTIB TRIHYDRATE

SMILES

O.O.O.CCN(CCCOC1=CC2=C(C=C1)C(NC3=CC(CC(=O)NC4=CC=CC(F)=C4)=NN3)=NC=N2)CCOP(O)(O)=O

InChI

InChIKey=VIHRUIMRSDKJKT-UHFFFAOYSA-N
InChI=1S/C26H31FN7O6P.3H2O/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19;;;/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33);3*1H2

HIDE SMILES / InChI

Approval Year

Name Type Language
BARASERTIB TRIHYDRATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 298509
Created by admin on Fri Dec 15 15:25:47 UTC 2023 , Edited by admin on Fri Dec 15 15:25:47 UTC 2023
Code System Code Type Description
FDA UNII
WM1NC31680
Created by admin on Fri Dec 15 15:25:47 UTC 2023 , Edited by admin on Fri Dec 15 15:25:47 UTC 2023
PRIMARY
PUBCHEM
168429443
Created by admin on Fri Dec 15 15:25:47 UTC 2023 , Edited by admin on Fri Dec 15 15:25:47 UTC 2023
PRIMARY