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Details

Stereochemistry ACHIRAL
Molecular Formula C39H48I4N6O11
Molecular Weight 1284.4499
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-(4-(1-(2-(2-(2-(2-(2-(2-(2-(4-GUANIDINOMETHYL-PHENOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHYL)-1H-(1,2,3)TRIAZOL-4-YLMETHOXY)-3,5-DIIODO-PHENOXY)-3,5-DIIODO-PHENYL)-ACETIC ACID

SMILES

NC(=N)NCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCN2C=C(COC3=C(I)C=C(OC4=C(I)C=C(CC(O)=O)C=C4I)C=C3I)N=N2)C=C1

InChI

InChIKey=DVWARFPIVDNTDK-UHFFFAOYSA-N
InChI=1S/C39H48I4N6O11/c40-32-19-28(21-36(50)51)20-33(41)38(32)60-31-22-34(42)37(35(43)23-31)59-26-29-25-49(48-47-29)5-6-52-7-8-53-9-10-54-11-12-55-13-14-56-15-16-57-17-18-58-30-3-1-27(2-4-30)24-46-39(44)45/h1-4,19-20,22-23,25H,5-18,21,24,26H2,(H,50,51)(H4,44,45,46)

HIDE SMILES / InChI

Molecular Formula C39H48I4N6O11
Molecular Weight 1284.4499
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 14:14:35 GMT 2023
Edited
by admin
on Sat Dec 16 14:14:35 GMT 2023
Record UNII
70JCV6CT08
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-(4-(1-(2-(2-(2-(2-(2-(2-(2-(4-GUANIDINOMETHYL-PHENOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHYL)-1H-(1,2,3)TRIAZOL-4-YLMETHOXY)-3,5-DIIODO-PHENOXY)-3,5-DIIODO-PHENYL)-ACETIC ACID
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 655018
Created by admin on Sat Dec 16 14:14:35 GMT 2023 , Edited by admin on Sat Dec 16 14:14:35 GMT 2023
Code System Code Type Description
PUBCHEM
135391013
Created by admin on Sat Dec 16 14:14:35 GMT 2023 , Edited by admin on Sat Dec 16 14:14:35 GMT 2023
PRIMARY
FDA UNII
70JCV6CT08
Created by admin on Sat Dec 16 14:14:35 GMT 2023 , Edited by admin on Sat Dec 16 14:14:35 GMT 2023
PRIMARY