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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H29FIN5O10
Molecular Weight 765.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-AMINO-4-HYDROXY-PHENYL)-3-CYCLOPROPYL-5-(2-FLUORO-4-IODO-ANILINO)-6,8-DIMETHYL-PYRIDO(4,3-D)PYRIMIDINE-2,4,7-TRIONE, GLUCURONIDE

SMILES

CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC4=CC=C(I)C=C4F)C5=CC(N)=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C=C5

InChI

InChIKey=IGXOTSIHRCCVJX-ZHOCNHIISA-N
InChI=1S/C30H29FIN5O10/c1-11-20-19(25(35(2)26(11)41)34-17-7-3-12(32)9-15(17)31)27(42)37(13-4-5-13)30(45)36(20)14-6-8-18(16(33)10-14)46-29-23(40)21(38)22(39)24(47-29)28(43)44/h3,6-10,13,21-24,29,34,38-40H,4-5,33H2,1-2H3,(H,43,44)/t21-,22-,23+,24-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H29FIN5O10
Molecular Weight 765.4816
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:16 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:16 UTC 2023
Record UNII
218N550XZ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-AMINO-4-HYDROXY-PHENYL)-3-CYCLOPROPYL-5-(2-FLUORO-4-IODO-ANILINO)-6,8-DIMETHYL-PYRIDO(4,3-D)PYRIMIDINE-2,4,7-TRIONE, GLUCURONIDE
Common Name English
TRAMETINIB METABOLITE M4
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-AMINO-4-(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
Common Name English
TRAMETINIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
119025827
Created by admin on Sat Dec 16 11:00:16 UTC 2023 , Edited by admin on Sat Dec 16 11:00:16 UTC 2023
PRIMARY
CAS
1620017-28-8
Created by admin on Sat Dec 16 11:00:16 UTC 2023 , Edited by admin on Sat Dec 16 11:00:16 UTC 2023
PRIMARY
FDA UNII
218N550XZ4
Created by admin on Sat Dec 16 11:00:16 UTC 2023 , Edited by admin on Sat Dec 16 11:00:16 UTC 2023
PRIMARY
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