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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H12FN5O3.H2O
Molecular Weight 311.2691
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISLATRAVIR MONOHYDRATE

SMILES

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

InChI

InChIKey=KRUZUXMDKXRQFG-OLENLRBRSA-N
InChI=1S/C12H12FN5O3.H2O/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18;/h1,5-7,19-20H,3-4H2,(H2,14,16,17);1H2/t6-,7+,12+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C12H12FN5O3
Molecular Weight 293.2538
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity ( + )

Molecular Formula H2O
Molecular Weight 18.0153
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 10:11:51 UTC 2023
Edited
by admin
on Sat Dec 16 10:11:51 UTC 2023
Record UNII
34BAW3S0M5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISLATRAVIR MONOHYDRATE
Common Name English
Adenosine, 2′-deoxy-4′-C-ethynyl-2-fluoro-, hydrate (1:1)
Systematic Name English
ISLATRAVIR HYDRATE
USAN  
Official Name English
4’-Ethynyl-2-fluoro-2’-deoxyadenosine monohydrate
Systematic Name English
ISLATRAVIR HYDRATE [JAN]
Common Name English
(2R,3S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-2-ethynyl-2- (hydroxymethyl)tetrahydrofuran-3-ol, hydrate (1:1)
Systematic Name English
MK-8591 MONOHYDRATE
Code English
ISLATRAVIR HYDRATE [USAN]
Common Name English
Code System Code Type Description
PUBCHEM
162368373
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
USAN
JK-108
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
CAS
2408129-39-3
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
FDA UNII
34BAW3S0M5
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
NCI_THESAURUS
C188466
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
SMS_ID
300000044103
Created by admin on Sat Dec 16 10:11:51 UTC 2023 , Edited by admin on Sat Dec 16 10:11:51 UTC 2023
PRIMARY
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ANHYDROUS->SOLVATE
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ACTIVE MOIETY