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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N7O2.CH4O3S.H2O
Molecular Weight 479.51
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREXASERTIB MESYLATE MONOHYDRATE

SMILES

O.CS(O)(=O)=O.COC1=CC=CC(OCCCN)=C1C2=CC(NC3=CN=C(C=N3)C#N)=NN2

InChI

InChIKey=LCYWXOLNJNHLGN-UHFFFAOYSA-N
InChI=1S/C18H19N7O2.CH4O3S.H2O/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;1-5(2,3)4;/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H19N7O2
Molecular Weight 365.3892
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 10:32:21 UTC 2023
Edited
by admin
on Sat Dec 16 10:32:21 UTC 2023
Record UNII
S4D3L195S4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREXASERTIB MESYLATE MONOHYDRATE
Common Name English
LY2606368 MESYLATE MONOHYDRATE
Code English
LY-2606368 MESYLATE MONOHYDRATE
Common Name English
LY-2606368 METHANESULFONATE MONOHYDRATE
Code English
LY-2606368 MESILATE MONOHYDRATE
Code English
5-((5-(2-(3-AMINOPROPOXY)-6-METHOXY-PHENYL)-1H-PYRAZOL-3-YL)AMINO)PYRAZINE-2-CARBONITRILE MESYLATE MONOHYDRATE
Systematic Name English
2-Pyrazinecarbonitrile, 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]-, methanesulfonate, hydrate (1:1:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 472015
Created by admin on Sat Dec 16 10:32:21 UTC 2023 , Edited by admin on Sat Dec 16 10:32:21 UTC 2023
Code System Code Type Description
CAS
1234015-57-6
Created by admin on Sat Dec 16 10:32:21 UTC 2023 , Edited by admin on Sat Dec 16 10:32:21 UTC 2023
PRIMARY
PUBCHEM
46836099
Created by admin on Sat Dec 16 10:32:21 UTC 2023 , Edited by admin on Sat Dec 16 10:32:21 UTC 2023
PRIMARY
FDA UNII
S4D3L195S4
Created by admin on Sat Dec 16 10:32:21 UTC 2023 , Edited by admin on Sat Dec 16 10:32:21 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY