Tigozertinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37FN6O3S
Molecular Weight	556.695
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1CCN(C[C@@H]1F)C2=NC=CC(NC3=CC4=C(C=N3)C(=CC=C4C(C)C)N5C[C@H](CS(C)(=O)=O)[C@H]5C)=N2

InChI

InChIKey=LIMFPAAAIVQRRD-BCGVJQADSA-N

InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H37FN6O3S
Molecular Weight	556.695
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:53 UTC 2023` Edited by `admin` on `Sat Dec 16 18:58:53 UTC 2023`
Record UNII	PA4PTH5HL9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tigozertinib

Official Name

English

TIGOZERTINIB [USAN]

Common Name

English

BLU-945

Code

English

3-ISOQUINOLINAMINE, N-(2-((3S,4R)-3-FLUORO-4-METHOXY-1-PIPERIDINYL)-4-PYRIMIDINYL)-5-(1-METHYLETHYL)-8-((2R,3S)-2-METHYL-3-((METHYLSULFONYL)METHYL)-1-AZETIDINYL)-

Systematic Name

English

N-{2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-5-(propan-2-yl)-8-[(2R,3S)-2-methyl-3-[(methanesulfonyl)methyl]azetidin-1-yl]isoquinolin-3-amine

Systematic Name

English

EGFR MUTANT-SELECTIVE INHIBITOR BLU-945

Common Name

English

BLU945

Code

English

3-Isoquinolinamine, N-[2-[(3S,4R)-3-fluoro-4-methoxy-1-piperidinyl]-4-pyrimidinyl]-5-(1-methylethyl)-8-[(2R,3S)-2-methyl-3- [(methylsulfonyl)methyl]-1-azetidinyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

156538665