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Details

Stereochemistry RACEMIC
Molecular Formula C21H20F3IN2O5
Molecular Weight 564.2936
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AZETIDINEPENTANOIC ACID, 1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-.DELTA.,3-DIHYDROXY-

SMILES

OC(CCCC(O)=O)C1(O)CN(C1)C(=O)C2=C(NC3=CC=C(I)C=C3F)C(F)=C(F)C=C2

InChI

InChIKey=KGPLBTZFBMHXPQ-UHFFFAOYSA-N
InChI=1S/C21H20F3IN2O5/c22-13-6-5-12(19(18(13)24)26-15-7-4-11(25)8-14(15)23)20(31)27-9-21(32,10-27)16(28)2-1-3-17(29)30/h4-8,16,26,28,32H,1-3,9-10H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C21H20F3IN2O5
Molecular Weight 564.2936
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:40:04 UTC 2023
Edited
by admin
on Sat Dec 16 14:40:04 UTC 2023
Record UNII
TJS4VN7FAM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AZETIDINEPENTANOIC ACID, 1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-.DELTA.,3-DIHYDROXY-
Systematic Name English
COBIMETINIB METABOLITE M37, M40
Common Name English
Code System Code Type Description
PUBCHEM
156596518
Created by admin on Sat Dec 16 14:40:04 UTC 2023 , Edited by admin on Sat Dec 16 14:40:04 UTC 2023
PRIMARY
CAS
2171498-56-7
Created by admin on Sat Dec 16 14:40:04 UTC 2023 , Edited by admin on Sat Dec 16 14:40:04 UTC 2023
PRIMARY
FDA UNII
TJS4VN7FAM
Created by admin on Sat Dec 16 14:40:04 UTC 2023 , Edited by admin on Sat Dec 16 14:40:04 UTC 2023
PRIMARY
Related Record Type Details
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