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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H7N4O2.Mg
Molecular Weight 382.6172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM THEOPHYLLINE

SMILES

[Mg++].CN1C2=C([N-]C=N2)C(=O)N(C)C1=O.CN3C4=C([N-]C=N4)C(=O)N(C)C3=O

InChI

InChIKey=QBVPIKRCQAOQRD-UHFFFAOYSA-L
InChI=1S/2C7H8N4O2.Mg/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h2*3H,1-2H3,(H,8,9,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8N4O2
Molecular Weight 180.164
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 Fri Dec 15 15:12:24 UTC 2023
Edited
by admin
on Fri Dec 15 15:12:24 UTC 2023
Record UNII
5T3F96XMN1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM THEOPHYLLINE
Systematic Name English
MAGNESIUM, BIS(3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONATO-.KAPPA.N7,.KAPPA.O6)-, (T-4)-
Systematic Name English
Code System Code Type Description
FDA UNII
5T3F96XMN1
Created by admin on Fri Dec 15 15:12:24 UTC 2023 , Edited by admin on Fri Dec 15 15:12:24 UTC 2023
PRIMARY
CAS
7558-61-4
Created by admin on Fri Dec 15 15:12:24 UTC 2023 , Edited by admin on Fri Dec 15 15:12:24 UTC 2023
SUPERSEDED
CAS
12286-42-9
Created by admin on Fri Dec 15 15:12:24 UTC 2023 , Edited by admin on Fri Dec 15 15:12:24 UTC 2023
PRIMARY
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