Barium bis(5-oxo-L-prolinate)

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C5H6NO3.Ba
Molecular Weight	393.539
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Barium bis(5-oxo-L-prolinate)

Structure Search

SMILES

[Ba++].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2

InChI

InChIKey=WHSQXGSLLYMUIG-QHTZZOMLSA-L

InChI=1S/2C5H7NO3.Ba/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	Ba
Molecular Weight	137.327
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H6NO3
Molecular Weight	128.106
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:24:56 GMT 2025` Edited by `admin` on `Tue Apr 01 19:24:56 GMT 2025`
Record UNII	83X2CG66ZD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Barium bis(5-oxo-L-prolinate)

Systematic Name

English

L-Proline, 5-oxo-, barium salt (2:1)

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

289-037-3

Created by admin on Tue Apr 01 19:24:56 GMT 2025 , Edited by admin on Tue Apr 01 19:24:56 GMT 2025

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FDA UNII

83X2CG66ZD

Created by admin on Tue Apr 01 19:24:56 GMT 2025 , Edited by admin on Tue Apr 01 19:24:56 GMT 2025

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EPA CompTox

DTXSID40235293

Created by admin on Tue Apr 01 19:24:56 GMT 2025 , Edited by admin on Tue Apr 01 19:24:56 GMT 2025

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PUBCHEM

14559050

Created by admin on Tue Apr 01 19:24:56 GMT 2025 , Edited by admin on Tue Apr 01 19:24:56 GMT 2025

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CAS

85959-44-0

Created by admin on Tue Apr 01 19:24:56 GMT 2025 , Edited by admin on Tue Apr 01 19:24:56 GMT 2025

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