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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N5O21P4
Molecular Weight 773.3229
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENUFOSOL

SMILES

NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N4C=CC(=O)NC4=O)O2

InChI

InChIKey=FPNPSEMJLALQSA-MIYUEGBISA-N
InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H27N5O21P4
Molecular Weight 773.3229
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:21:49 UTC 2023
Edited
by admin
on Fri Dec 15 16:21:49 UTC 2023
Record UNII
5PC250KSSH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENUFOSOL
INN   MI   WHO-DD  
INN  
Official Name English
DENUFOSOL [MI]
Common Name English
Denufosol [WHO-DD]
Common Name English
denufosol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78273
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
Code System Code Type Description
INN
8491
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
FDA UNII
5PC250KSSH
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
DRUG BANK
DB04983
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
SMS_ID
100000177262
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID50870235
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
CAS
211448-85-0
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL507282
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
NCI_THESAURUS
C78118
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
WIKIPEDIA
DENUFOSOL
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
PUBCHEM
9875516
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY
MERCK INDEX
m4168
Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023
PRIMARY Merck Index
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY