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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26N4O23P4
Molecular Weight 790.3071
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIQUAFOSOL

SMILES

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O

InChI

InChIKey=NMLMACJWHPHKGR-NCOIDOBVSA-N
InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H26N4O23P4
Molecular Weight 790.3071
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:59:21 UTC 2023
Edited
by admin
on Sat Dec 16 15:59:21 UTC 2023
Record UNII
7828VC80FJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIQUAFOSOL
INN   MI   WHO-DD  
INN  
Official Name English
DIURIDINE TETRAPHOSPHATE
Common Name English
P1,P4-DI(URIDINE 5'-TETRAPHOSPHATE), TETRASODIUM SALT
Common Name English
URIDINE, 5'-(PENTAHYDROGEN TETRAPHOSPHATE), P'''->5'-ESTER WITH URIDINE
Common Name English
DIQUAFOSOL [MI]
Common Name English
diquafosol [INN]
Common Name English
P1, P4-DI(URIDINE 5'-TETRAPHOSPHATE), TETRASODIUM SALT
Common Name English
Diquafosol [WHO-DD]
Common Name English
URIDINE(5')TETRAPHOSPHO(5')URIDINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78283
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40208689
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
MESH
C403315
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
CAS
59985-21-6
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
EVMPD
SUB87041
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL221326
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
FDA UNII
7828VC80FJ
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
DRUG CENTRAL
4900
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
SMS_ID
100000139278
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
PUBCHEM
148197
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
MERCK INDEX
m4661
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY Merck Index
INN
8326
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
NCI_THESAURUS
C65436
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
CHEBI
27791
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
WIKIPEDIA
DIQUAFOSOL
Created by admin on Sat Dec 16 15:59:22 UTC 2023 , Edited by admin on Sat Dec 16 15:59:22 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY