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Details

Stereochemistry ACHIRAL
Molecular Formula 2C9H13N2O3.Ca
Molecular Weight 434.5
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROBARBITAL CALCIUM

SMILES

[Ca++].CCC1(C(C)C)C(=O)NC(=O)[N-]C1=O.CCC2(C(C)C)C(=O)NC(=O)[N-]C2=O

InChI

InChIKey=WZPJERQWVCHCKK-UHFFFAOYSA-L
InChI=1S/2C9H14N2O3.Ca/c2*1-4-9(5(2)3)6(12)10-8(14)11-7(9)13;/h2*5H,4H2,1-3H3,(H2,10,11,12,13,14);/q;;+2/p-2

HIDE SMILES / InChI
PubMed

PubMed

TitleDatePubMed
Characterization of hydrogen bonding between selected barbiturates and polyethylene glycol 4000 by IR spectral analysis.
1975 Nov
Patents

Patents

Name Type Language
PROBARBITAL CALCIUM
Common Name English
CALCIUM BIS(5-ETHYL-4,6-DIOXO-5-(PROPAN-2-YL)-1,4,5,6-TETRAHYDROPYRIMIDIN-2-OLATE)
Systematic Name English
CALCIUM PROBARBITAL
Common Name English
Code System Code Type Description
PUBCHEM
120727
Created by admin on Fri Dec 15 14:59:00 GMT 2023 , Edited by admin on Fri Dec 15 14:59:00 GMT 2023
PRIMARY
CAS
545-74-4
Created by admin on Fri Dec 15 14:59:00 GMT 2023 , Edited by admin on Fri Dec 15 14:59:00 GMT 2023
PRIMARY
FDA UNII
S5L624QX2J
Created by admin on Fri Dec 15 14:59:00 GMT 2023 , Edited by admin on Fri Dec 15 14:59:00 GMT 2023
PRIMARY