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Details

Stereochemistry ACHIRAL
Molecular Formula C26H31FN7O6P.2ClH
Molecular Weight 660.462
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARASERTIB DIHYDROCHLORIDE

SMILES

Cl.Cl.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=PEVRMFUIHQMEHQ-UHFFFAOYSA-N
InChI=1S/C26H31FN7O6P.2ClH/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);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H31FN7O6P
Molecular Weight 587.5398
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:05:12 UTC 2023
Edited
by admin
on Sat Dec 16 11:05:12 UTC 2023
Record UNII
H3T2NXF7ZK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARASERTIB DIHYDROCHLORIDE
Common Name English
1H-PYRAZOLE-3-ACETAMIDE, 5-((7-(3-(ETHYL(2-(PHOSPHONOOXY)ETHYL)AMINO)PROPOXY)-4-QUINAZOLINYL)AMINO)-N-(3-FLUOROPHENYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
CAS
722543-50-2
Created by admin on Sat Dec 16 11:05:12 UTC 2023 , Edited by admin on Sat Dec 16 11:05:12 UTC 2023
PRIMARY
FDA UNII
H3T2NXF7ZK
Created by admin on Sat Dec 16 11:05:12 UTC 2023 , Edited by admin on Sat Dec 16 11:05:12 UTC 2023
PRIMARY
PUBCHEM
16221572
Created by admin on Sat Dec 16 11:05:12 UTC 2023 , Edited by admin on Sat Dec 16 11:05:12 UTC 2023
PRIMARY
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