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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21FIN4O6P
Molecular Weight 554.2485
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINOETHYL ((S)-3-(3-((2-FLUORO-4-IODOPHENYL)AMINO)ISONICOTINAMIDO)-2-HYDROXYPROPYL) HYDROGEN PHOSPHATE

SMILES

NCCOP(O)(=O)OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1

InChI

InChIKey=XKVVGOOFFSVAMC-LBPRGKRZSA-N
InChI=1S/C17H21FIN4O6P/c18-14-7-11(19)1-2-15(14)23-16-9-21-5-3-13(16)17(25)22-8-12(24)10-29-30(26,27)28-6-4-20/h1-3,5,7,9,12,23-24H,4,6,8,10,20H2,(H,22,25)(H,26,27)/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-AMINOETHYL ((S)-3-(3-((2-FLUORO-4-IODOPHENYL)AMINO)ISONICOTINAMIDO)-2-HYDROXYPROPYL) HYDROGEN PHOSPHATE
Systematic Name English
MSC2521347
Preferred Name English
PIMASERTIB METABOLITE M554
Common Name English
Code System Code Type Description
FDA UNII
NVC9Y0HETP
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY
PUBCHEM
124220568
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY