U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N4O3.2H3O4P
Molecular Weight 578.4465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VAPENDAVIR PHOSPHATE

SMILES

OP(O)(O)=O.OP(O)(O)=O.CCOC1=NOC2=CC(OCCC3CCN(CC3)C4=NN=C(C)C=C4)=CC=C12

InChI

InChIKey=MIUFDXZDQWMWRR-UHFFFAOYSA-N
InChI=1S/C21H26N4O3.2H3O4P/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20;2*1-5(2,3)4/h4-7,14,16H,3,8-13H2,1-2H3;2*(H3,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
VAPENDAVIR PHOSPHATE
Common Name English
6-(2-(1-(6-METHYL-3-PYRIDAZINYL)-4-PIPERIDINYL)ETHOXY)-3-ETHOXY-1,2-BENZISOXAZOLE BIS-DIHYDROGENPHOSPHATE SALT (1:2)
Systematic Name English
1,2-BENZISOXAZOLE, 3-ETHOXY-6-(2-(1-(6-METHYL-3-PYRIDAZINYL)-4-PIPERIDINYL)ETHOXY)-, PHOSPHATE (1:2)
Common Name English
Code System Code Type Description
FDA UNII
HLB8GQZ6FB
Created by admin on Sat Dec 16 02:14:14 UTC 2023 , Edited by admin on Sat Dec 16 02:14:14 UTC 2023
PRIMARY
CAS
1198151-75-5
Created by admin on Sat Dec 16 02:14:14 UTC 2023 , Edited by admin on Sat Dec 16 02:14:14 UTC 2023
PRIMARY
PUBCHEM
44474071
Created by admin on Sat Dec 16 02:14:14 UTC 2023 , Edited by admin on Sat Dec 16 02:14:14 UTC 2023
PRIMARY