U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15FN5O12P3
Molecular Weight 533.1935
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISLATRAVIR TRIPHOSPHATE

SMILES

NC1=C2N=CN([C@H]3C[C@H](O)[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O3)C#C)C2=NC(F)=N1

InChI

InChIKey=BUMPFXRZUYYODO-QRPMWFLTSA-N
InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15FN5O12P3
Molecular Weight 533.1935
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:59:33 UTC 2023
Edited
by admin
on Sat Dec 16 18:59:33 UTC 2023
Record UNII
7HAE2A23SL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISLATRAVIR TRIPHOSPHATE
Common Name English
2'-DEOXY-4'-C-ETHYNYL-2-FLUOROADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)
Systematic Name English
ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 2'-DEOXY-4'-C-ETHYNYL-2-FLUORO-
Systematic Name English
Code System Code Type Description
FDA UNII
7HAE2A23SL
Created by admin on Sat Dec 16 18:59:33 UTC 2023 , Edited by admin on Sat Dec 16 18:59:33 UTC 2023
PRIMARY
CAS
950913-56-1
Created by admin on Sat Dec 16 18:59:33 UTC 2023 , Edited by admin on Sat Dec 16 18:59:33 UTC 2023
PRIMARY
PUBCHEM
44568060
Created by admin on Sat Dec 16 18:59:33 UTC 2023 , Edited by admin on Sat Dec 16 18:59:33 UTC 2023
PRIMARY
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