3-CYCLOPROPYL-5-((2-FLUORO-4-IODOPHENYL)AMINO)-1-(3-((HYDROXYACETYL)AMINO)PHENYL)-6,8-DIMETHYL-2,4,7-TRIOXO-3,4,6,7-TETRAHYDRO-2H-PYRIDO(4,3-D)PYRIMIDINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23FIN5O5
Molecular Weight	631.3942
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CYCLOPROPYL-5-((2-FLUORO-4-IODOPHENYL)AMINO)-1-(3-((HYDROXYACETYL)AMINO)PHENYL)-6,8-DIMETHYL-2,4,7-TRIOXO-3,4,6,7-TETRAHYDRO-2H-PYRIDO(4,3-D)PYRIMIDINE

Structure Search

SMILES

CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC4=CC=C(I)C=C4F)C5=CC(NC(=O)CO)=CC=C5

InChI

InChIKey=NNEOTLJHJSFAEJ-UHFFFAOYSA-N

InChI=1S/C26H23FIN5O5/c1-13-22-21(23(31(2)24(13)36)30-19-9-6-14(28)10-18(19)27)25(37)33(16-7-8-16)26(38)32(22)17-5-3-4-15(11-17)29-20(35)12-34/h3-6,9-11,16,30,34H,7-8,12H2,1-2H3,(H,29,35)

HIDE SMILES / InChI

Molecular Formula	C26H23FIN5O5
Molecular Weight	631.3942
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 11:31:53 UTC 2023` Edited by `admin` on `Sat Dec 16 11:31:53 UTC 2023`
Record UNII	H16CFT555N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-CYCLOPROPYL-5-((2-FLUORO-4-IODOPHENYL)AMINO)-1-(3-((HYDROXYACETYL)AMINO)PHENYL)-6,8-DIMETHYL-2,4,7-TRIOXO-3,4,6,7-TETRAHYDRO-2H-PYRIDO(4,3-D)PYRIMIDINE

Systematic Name

English

ACETAMIDE, N-(3-(3-CYCLOPROPYL-5-((2-FLUORO-4-IODOPHENYL)AMINO)-3,4,6,7-TETRAHYDRO-6,8-DIMETHYL-2,4,7-TRIOXOPYRIDO(4,3-D)PYRIMIDIN-1(2H)-YL)PHENYL)-2-HYDROXY-

Systematic Name

English

TRAMETINIB METABOLITE M12

Common Name

English

Code System Code Type Description

FDA UNII

H16CFT555N

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

PUBCHEM

59717251

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

CAS

871701-39-2

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

Related Record Type Details


					33E86K87QN

TRAMETINIB

PARENT -> METABOLITE

Comments:

NO QUANTITY LISTED

Interaction Type:

MINOR

Qualification:

URINE