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Details

Stereochemistry ACHIRAL
Molecular Formula C21H33N5O3
Molecular Weight 403.5184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-OXO-2-((4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)AMINO)ETHYL)CYCLOPENTANEACETIC ACID

SMILES

OC(=O)CC3(CC(=O)NCCCCN1CCN(CC1)C2=NC=CC=N2)CCCC3

InChI

InChIKey=CXFNXCYJILJTDA-UHFFFAOYSA-N
InChI=1S/C21H33N5O3/c27-18(16-21(17-19(28)29)6-1-2-7-21)22-8-3-4-11-25-12-14-26(15-13-25)20-23-9-5-10-24-20/h5,9-10H,1-4,6-8,11-17H2,(H,22,27)(H,28,29)

HIDE SMILES / InChI

Molecular Formula C21H33N5O3
Molecular Weight 403.5184
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 10:50:22 UTC 2023
Edited
by admin
on Sat Dec 16 10:50:22 UTC 2023
Record UNII
1VPY2M0SUT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-OXO-2-((4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)AMINO)ETHYL)CYCLOPENTANEACETIC ACID
Systematic Name English
CYCLOPENTANEACETIC ACID, 1-(2-OXO-2-((4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)AMINO)ETHYL)-
Systematic Name English
BUSPIRONE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
BUSPIRONE OPEN RING [USP IMPURITY]
Common Name English
2-(1-(2-OXO-2-((4-(4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL)BUTYL)AMINO)ETHYL)CYCLOPENTYL)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
1VPY2M0SUT
Created by admin on Sat Dec 16 10:50:22 UTC 2023 , Edited by admin on Sat Dec 16 10:50:22 UTC 2023
PRIMARY
CAS
257877-43-3
Created by admin on Sat Dec 16 10:50:22 UTC 2023 , Edited by admin on Sat Dec 16 10:50:22 UTC 2023
PRIMARY
PUBCHEM
101000528
Created by admin on Sat Dec 16 10:50:22 UTC 2023 , Edited by admin on Sat Dec 16 10:50:22 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