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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H17NO5.C7H8N4O2
Molecular Weight 375.3776
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOPHYLLINE MEGLUMINE

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN1C2=C(NC=N2)C(=O)N(C)C1=O

InChI

InChIKey=SYVYGLNOQIZPJI-WZTVWXICSA-N
InChI=1S/C7H8N4O2.C7H17NO5/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H,1-2H3,(H,8,9);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

HIDE SMILES / InChI

Molecular Formula C7H17NO5
Molecular Weight 195.2136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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 15:07:11 UTC 2023
Edited
by admin
on Fri Dec 15 15:07:11 UTC 2023
Record UNII
1442U7XKHA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEOPHYLLINE MEGLUMINE
Common Name English
Code System Code Type Description
FDA UNII
1442U7XKHA
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
CAS
8048-39-3
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
PUBCHEM
67829207
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
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