U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H21FIN5O4
Molecular Weight 601.3682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRAMETINIB, N-DESMETHYL

SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=O)N(C3CC3)C(=O)C4=C(NC5=CC=C(I)C=C5F)NC(=O)C(C)=C24

InChI

InChIKey=QYAXWXYHNGAGPH-UHFFFAOYSA-N
InChI=1S/C25H21FIN5O4/c1-12-21-20(22(30-23(12)34)29-19-9-6-14(27)10-18(19)26)24(35)32(16-7-8-16)25(36)31(21)17-5-3-4-15(11-17)28-13(2)33/h3-6,9-11,16H,7-8H2,1-2H3,(H,28,33)(H2,29,30,34)

HIDE SMILES / InChI

Molecular Formula C25H21FIN5O4
Molecular Weight 601.3682
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 09:06:08 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:08 GMT 2023
Record UNII
X79Z5CA9BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRAMETINIB, N-DESMETHYL
Common Name English
N-(3-(3-CYCLOPROPYL-5-(2-FLUORO-4-IODO-ANILINO)-8-METHYL-2,4,7-TRIOXO-6H-PYRIDO(4,3-D)PYRIMIDIN-1-YL)PHENYL)ACETAMIDE
Systematic Name English
TRAMETINIB METABOLITE M13
Common Name English
Code System Code Type Description
PUBCHEM
119026120
Created by admin on Sat Dec 16 09:06:08 GMT 2023 , Edited by admin on Sat Dec 16 09:06:08 GMT 2023
PRIMARY
FDA UNII
X79Z5CA9BN
Created by admin on Sat Dec 16 09:06:08 GMT 2023 , Edited by admin on Sat Dec 16 09:06:08 GMT 2023
PRIMARY