AXITINIB SULFOXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H18N4O2S
Molecular Weight	402.4708
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN=C(c1ccccc1S(=O)c2ccc3c(/C(/[H])=C(\[H])/c4ccccn4)[nH]nc3c2)O

InChI

InChIKey=MAHSNFBPPYMWFB-FMIVXFBMSA-N

InChI=1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)29(28)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+

HIDE SMILES / InChI

Molecular Formula	C22H18N4O2S
Molecular Weight	402.4708
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 08:26:52 UTC 2021` Edited by `admin` on `Sat Jun 26 08:26:52 UTC 2021`
Record UNII	55P8GY3IEK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AXITINIB SULFOXIDE

Common Name

English

BENZAMIDE, N-METHYL-2-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)SULFINYL)

Systematic Name

English

PF-03482595

Code

English

AXITINIB METABOLITE M12

Common Name

English

AG-028458

Code

English

Classification Tree Code System Code

NDF-RT

N0000175605

Created by admin on Sat Jun 26 08:26:52 UTC 2021 , Edited by admin on Sat Jun 26 08:26:52 UTC 2021

Code System Code Type Description

FDA UNII

55P8GY3IEK

Created by admin on Sat Jun 26 08:26:52 UTC 2021 , Edited by admin on Sat Jun 26 08:26:52 UTC 2021

PRIMARY

CAS

1347304-18-0

Created by admin on Sat Jun 26 08:26:52 UTC 2021 , Edited by admin on Sat Jun 26 08:26:52 UTC 2021

PRIMARY

PUBCHEM

86278350

Created by admin on Sat Jun 26 08:26:52 UTC 2021 , Edited by admin on Sat Jun 26 08:26:52 UTC 2021

PRIMARY

Related Record Type Details


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AXITINIB

PARENT -> METABOLITE

Qualification:

URINE