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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

Molecular Formula C17H21FIN4O6P
Molecular Weight 554.2485
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:33 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:33 GMT 2023
Record UNII
NVC9Y0HETP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINOETHYL ((S)-3-(3-((2-FLUORO-4-IODOPHENYL)AMINO)ISONICOTINAMIDO)-2-HYDROXYPROPYL) HYDROGEN PHOSPHATE
Systematic Name English
PIMASERTIB METABOLITE M554
Common Name English
MSC2521347
Code English
Code System Code Type Description
FDA UNII
NVC9Y0HETP
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
PUBCHEM
124220568
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
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