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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H32F2N2O.2ClH
Molecular Weight 523.485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANOXERINE HYDROCHLORIDE

SMILES

Cl.Cl.FC1=CC=C(C=C1)C(OCCN2CCN(CCCC3=CC=CC=C3)CC2)C4=CC=C(F)C=C4

InChI

InChIKey=MIBSKSYCRFWIRU-UHFFFAOYSA-N
InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H32F2N2O
Molecular Weight 450.5633
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 11:08:21 UTC 2023
Edited
by admin
on Sat Dec 16 11:08:21 UTC 2023
Record UNII
MWO1IP03EV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANOXERINE HYDROCHLORIDE
Common Name English
PIPERAZINE, 1-(2-(BIS(4-FLUOROPHENYL)METHOXY)ETHYL)-4-(3-PHENYLPROPYL)-, DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
67469-78-7
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
PUBCHEM
104920
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
CHEBI
64086
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
DRUG BANK
DBSALT001866
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
FDA UNII
MWO1IP03EV
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID1042570
Created by admin on Sat Dec 16 11:08:21 UTC 2023 , Edited by admin on Sat Dec 16 11:08:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY