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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17F3N5O5PS
Molecular Weight 479.371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALAMIFOVIR METABOLITE 602075

SMILES

NC1=NC(SC2=CC=C(O)C=C2)=C3N=CN(CCOCP(O)(=O)OCC(F)(F)F)C3=N1

InChI

InChIKey=PQACIIZFNXJNGZ-UHFFFAOYSA-N
InChI=1S/C16H17F3N5O5PS/c17-16(18,19)7-29-30(26,27)9-28-6-5-24-8-21-12-13(24)22-15(20)23-14(12)31-11-3-1-10(25)2-4-11/h1-4,8,25H,5-7,9H2,(H,26,27)(H2,20,22,23)

HIDE SMILES / InChI

Molecular Formula C16H17F3N5O5PS
Molecular Weight 479.371
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 19:47:33 UTC 2023
Edited
by admin
on Sat Dec 16 19:47:33 UTC 2023
Record UNII
T4WD78WPX3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALAMIFOVIR METABOLITE 602075
Common Name English
Phosphonic acid, P-[[2-[2-amino-6-[(4-hydroxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]-, mono(2,2,2-trifluoroethyl) ester
Systematic Name English
2,2,2-Trifluoroethyl hydrogen P-[[2-[2-amino-6-[(4-hydroxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]phosphonate
Systematic Name English
Phosphonic acid, [[2-[2-amino-6-[(4-hydroxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]-, mono(2,2,2-trifluoroethyl) ester
Systematic Name English
Code System Code Type Description
PUBCHEM
10140578
Created by admin on Sat Dec 16 19:47:33 UTC 2023 , Edited by admin on Sat Dec 16 19:47:33 UTC 2023
PRIMARY
CAS
358975-86-7
Created by admin on Sat Dec 16 19:47:33 UTC 2023 , Edited by admin on Sat Dec 16 19:47:33 UTC 2023
PRIMARY
FDA UNII
T4WD78WPX3
Created by admin on Sat Dec 16 19:47:33 UTC 2023 , Edited by admin on Sat Dec 16 19:47:33 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY