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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19ClN5O4P
Molecular Weight 423.791
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRADEFOVIR

SMILES

NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C4=CC=CC(Cl)=C4)C2=NC=N1

InChI

InChIKey=GWNHAOBXDGOXRR-HJFSHJIFSA-N
InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H19ClN5O4P
Molecular Weight 423.791
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 Fri Dec 15 16:04:07 UTC 2023
Edited
by admin
on Fri Dec 15 16:04:07 UTC 2023
Record UNII
GZE85Q9Q61
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRADEFOVIR
INN   WHO-DD  
INN  
Official Name English
Pradefovir [WHO-DD]
Common Name English
pradefovir [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C281
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
NCI_THESAURUS C1557
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
Code System Code Type Description
CAS
625095-60-5
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
PUBCHEM
9604654
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
INN
8584
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
MESH
C497721
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID10870372
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
NCI_THESAURUS
C66453
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
DRUG BANK
DB15550
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
SMS_ID
300000036966
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
FDA UNII
GZE85Q9Q61
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111102
Created by admin on Fri Dec 15 16:04:07 UTC 2023 , Edited by admin on Fri Dec 15 16:04:07 UTC 2023
PRIMARY
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ACTIVE MOIETY