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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19F3N5O5PS
Molecular Weight 493.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALAMIFOVIR METABOLITE 602074

SMILES

COC1=CC=C(SC2=NC(N)=NC3=C2N=CN3CCOCP(O)(=O)OCC(F)(F)F)C=C1

InChI

InChIKey=FIRROXKTIPOMQO-UHFFFAOYSA-N
InChI=1S/C17H19F3N5O5PS/c1-28-11-2-4-12(5-3-11)32-15-13-14(23-16(21)24-15)25(9-22-13)6-7-29-10-31(26,27)30-8-17(18,19)20/h2-5,9H,6-8,10H2,1H3,(H,26,27)(H2,21,23,24)

HIDE SMILES / InChI

Molecular Formula C17H19F3N5O5PS
Molecular Weight 493.397
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 19:49:48 UTC 2023
Edited
by admin
on Sat Dec 16 19:49:48 UTC 2023
Record UNII
YGM6W6WY9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALAMIFOVIR METABOLITE 602074
Common Name English
2,2,2-Trifluoroethyl hydrogen P-[[2-[2-amino-6-[(4-methoxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]phosphonate
Systematic Name English
Phosphonic acid, [[2-[2-amino-6-[(4-methoxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]-, mono(2,2,2-trifluoroethyl) ester
Systematic Name English
Phosphonic acid, P-[[2-[2-amino-6-[(4-methoxyphenyl)thio]-9H-purin-9-yl]ethoxy]methyl]-, mono(2,2,2-trifluoroethyl) ester
Systematic Name English
Code System Code Type Description
PUBCHEM
492971
Created by admin on Sat Dec 16 19:49:49 UTC 2023 , Edited by admin on Sat Dec 16 19:49:49 UTC 2023
PRIMARY
FDA UNII
YGM6W6WY9B
Created by admin on Sat Dec 16 19:49:49 UTC 2023 , Edited by admin on Sat Dec 16 19:49:49 UTC 2023
PRIMARY
CAS
193681-31-1
Created by admin on Sat Dec 16 19:49:49 UTC 2023 , Edited by admin on Sat Dec 16 19:49:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY