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Details

Stereochemistry ACHIRAL
Molecular Formula C33H50N8O4
Molecular Weight 622.8013
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl) 2,2'-(cyclopentane-1,1-diyl)diacetate

SMILES

O=C(CC3(CC(=O)OCCCCN1CCN(CC1)C2=NC=CC=N2)CCCC3)OCCCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChIKey=YDYRFEJMLXXKCV-UHFFFAOYSA-N
InChI=1S/C33H50N8O4/c42-29(44-25-5-3-15-38-17-21-40(22-18-38)31-34-11-7-12-35-31)27-33(9-1-2-10-33)28-30(43)45-26-6-4-16-39-19-23-41(24-20-39)32-36-13-8-14-37-32/h7-8,11-14H,1-6,9-10,15-28H2

HIDE SMILES / InChI

Molecular Formula C33H50N8O4
Molecular Weight 622.8013
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 Mon Mar 31 23:28:01 GMT 2025
Edited
by admin
on Mon Mar 31 23:28:01 GMT 2025
Record UNII
W4Y50EQ8WB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl) 2,2'-(cyclopentane-1,1-diyl)diacetate
Systematic Name English
BUSPIRONE DIESTER DIMER
Preferred Name English
BUSPIRONE DIESTER DIMER [USP IMPURITY]
Common Name English
BUSPIRONE HYDROCHLORIDE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
2708578-34-9
Created by admin on Mon Mar 31 23:28:01 GMT 2025 , Edited by admin on Mon Mar 31 23:28:01 GMT 2025
PRIMARY
PUBCHEM
129011614
Created by admin on Mon Mar 31 23:28:01 GMT 2025 , Edited by admin on Mon Mar 31 23:28:01 GMT 2025
PRIMARY
FDA UNII
W4Y50EQ8WB
Created by admin on Mon Mar 31 23:28:01 GMT 2025 , Edited by admin on Mon Mar 31 23:28:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
impurity detected at UV 240 nm
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP