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Details

Stereochemistry ACHIRAL
Molecular Formula C33H51N9O3
Molecular Weight 621.8165
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL (1-(2-OXO-2-((4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL)AMINO)ETHYL)CYCLOPENTYL)ACETATE

SMILES

O=C(CC3(CC(=O)OCCCCN1CCN(CC1)C2=NC=CC=N2)CCCC3)NCCCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChIKey=YXYDLJHJUQFMCG-UHFFFAOYSA-N
InChI=1S/C33H51N9O3/c43-29(34-11-3-4-16-39-18-22-41(23-19-39)31-35-12-7-13-36-31)27-33(9-1-2-10-33)28-30(44)45-26-6-5-17-40-20-24-42(25-21-40)32-37-14-8-15-38-32/h7-8,12-15H,1-6,9-11,16-28H2,(H,34,43)

HIDE SMILES / InChI

Molecular Formula C33H51N9O3
Molecular Weight 621.8165
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 11:25:18 UTC 2023
Edited
by admin
on Sat Dec 16 11:25:18 UTC 2023
Record UNII
CTI4QD21VS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL (1-(2-OXO-2-((4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL)AMINO)ETHYL)CYCLOPENTYL)ACETATE
Systematic Name English
4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL 2-(1-(2-OXO-2-((4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL)AMINO)ETHYL)CYCLOPENTYL)ACETATE
Systematic Name English
BUSPIRONE OPEN RING DIMER [USP IMPURITY]
Common Name English
BUSPIRONE HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
CTI4QD21VS
Created by admin on Sat Dec 16 11:25:18 UTC 2023 , Edited by admin on Sat Dec 16 11:25:18 UTC 2023
PRIMARY
CAS
2512210-24-9
Created by admin on Sat Dec 16 11:25:18 UTC 2023 , Edited by admin on Sat Dec 16 11:25:18 UTC 2023
PRIMARY
PUBCHEM
129318582
Created by admin on Sat Dec 16 11:25:18 UTC 2023 , Edited by admin on Sat Dec 16 11:25:18 UTC 2023
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