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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21ClN5O4P
Molecular Weight 437.817
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hepenofovir

SMILES

C[C@H](CN1C=NC2=C1N=CN=C2N)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(Cl)=CC=C4

InChI

InChIKey=GVLPONXNPMEDCT-QPHFUODRSA-N
InChI=1S/C18H21ClN5O4P/c1-12(8-24-10-23-16-17(20)21-9-22-18(16)24)26-11-29(25)27-6-5-15(28-29)13-3-2-4-14(19)7-13/h2-4,7,9-10,12,15H,5-6,8,11H2,1H3,(H2,20,21,22)/t12-,15+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21ClN5O4P
Molecular Weight 437.817
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 Fri Jul 07 00:35:49 UTC 2023
Edited
by admin
on Fri Jul 07 00:35:49 UTC 2023
Record UNII
S53822VS43
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hepenofovir
Common Name English
9H-Purin-6-amine, 9-[(2R)-2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]propyl]-
Common Name English
9-[(2R)-2-[[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]propyl]-9H-purin-6-amine
Systematic Name English
Code System Code Type Description
PUBCHEM
73672420
Created by admin on Fri Jul 07 00:35:50 UTC 2023 , Edited by admin on Fri Jul 07 00:35:50 UTC 2023
PRIMARY
CAS
1174716-08-5
Created by admin on Fri Jul 07 00:35:50 UTC 2023 , Edited by admin on Fri Jul 07 00:35:50 UTC 2023
PRIMARY
FDA UNII
S53822VS43
Created by admin on Fri Jul 07 00:35:50 UTC 2023 , Edited by admin on Fri Jul 07 00:35:50 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
METABOLIC ENZYME -> SUBSTRATE
TARGET ORGANISM->INHIBITOR
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Activated in liver cells.