DOSIMERTINIB MESYLATE

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 Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 18:07:32 GMT 2023`
Record UNII	7CPN3DPX52
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 18:07:32 GMT 2023

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FDA UNII

7CPN3DPX52

Created by admin on Sat Dec 16 18:07:32 GMT 2023 , Edited by admin on Sat Dec 16 18:07:32 GMT 2023

PRIMARY

PUBCHEM

162623669

Created by admin on Sat Dec 16 18:07:32 GMT 2023 , Edited by admin on Sat Dec 16 18:07:32 GMT 2023

PRIMARY

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Amount:

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DOSIMERTINIB

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC
Biological Half-life	PHARMACOKINETIC
Volume of Distribution	PHARMACOKINETIC