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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13FN3O12P3S
Molecular Weight 487.186
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE 5'-TRIPHOSPHATE

SMILES

NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2

InChI

InChIKey=WIEOLFZNMKSGEX-NTSWFWBYSA-N
InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13FN3O12P3S
Molecular Weight 487.186
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:18:12 UTC 2023
Edited
by admin
on Thu Jul 06 20:18:12 UTC 2023
Record UNII
842MLG4LPF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMTRICITABINE 5'-TRIPHOSPHATE
Common Name English
EMTRICITABINE METABOLITE (EMTRICITABINE 5'-TRIPHOSPHATE)
Common Name English
EMTRICITABINE TRIPHOSPHATE
Common Name English
TRIPHOSPHORIC ACID, P-(((2R,5S)-5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-1,3-OXATHIOLAN-2-YL)METHYL) ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
842MLG4LPF
Created by admin on Thu Jul 06 20:18:13 UTC 2023 , Edited by admin on Thu Jul 06 20:18:13 UTC 2023
PRIMARY
PUBCHEM
469172
Created by admin on Thu Jul 06 20:18:13 UTC 2023 , Edited by admin on Thu Jul 06 20:18:13 UTC 2023
PRIMARY
CAS
145819-92-7
Created by admin on Thu Jul 06 20:18:13 UTC 2023 , Edited by admin on Thu Jul 06 20:18:13 UTC 2023
PRIMARY
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Emtricitabine 5'-triphosphate inhibits the activity of the HIV-1 reverse transcriptase by competing with the natural substrate deoxycytidine 5'-triphosphate and by being incorporated into nascent viral DNA which results in chain termination.
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PARENT -> METABOLITE ACTIVE