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Details

Stereochemistry ACHIRAL
Molecular Formula C28H33N7O2.CH4O3S
Molecular Weight 600.744
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOSIMERTINIB MESYLATE

SMILES

CS(O)(=O)=O.[2H]C([2H])=CC(=O)NC1=CC(NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C34)C([2H])([2H])[2H])=C(OC)C=C1N(C)CCN(C)C

InChI

InChIKey=FUKSNUHSJBTCFJ-FYWAFROVSA-N
InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)/i1D2,5D3;

HIDE SMILES / InChI

Molecular Formula C28H33N7O2
Molecular Weight 504.6381
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:32 UTC 2023
Edited
by admin
on Sat Dec 16 18:07:32 UTC 2023
Record UNII
7CPN3DPX52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOSIMERTINIB MESYLATE
Common Name English
2-Propenamide-3,3-d2, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-[1-(methyl-d3)-1H-indol-3-yl]-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
CAS
2403760-72-3
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
FDA UNII
7CPN3DPX52
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
PUBCHEM
162623669
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC