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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H8N4O2.C2H8N2.4H2O
Molecular Weight 492.4875
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOPHYLLINE TETRAHYDRATE

SMILES

O.O.O.O.NCCN.CN1C2=C(N=CN2)C(=O)N(C)C1=O.CN3C4=C(N=CN4)C(=O)N(C)C3=O

InChI

InChIKey=QIDMTYBNFQHLJS-UHFFFAOYSA-N
InChI=1S/2C7H8N4O2.C2H8N2.4H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;;;;/h2*3H,1-2H3,(H,8,9);1-4H2;4*1H2

HIDE SMILES / InChI

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

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H8N2
Molecular Weight 60.0983
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 18:06:24 UTC 2023
Edited
by admin
on Sat Dec 16 18:06:24 UTC 2023
Record UNII
LPY3U2N8EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINOPHYLLINE TETRAHYDRATE
Common Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 1,2-ETHANEDIAMINE, HYDRATE (2:1:4)
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 1,2-ETHANEDIAMINE (2:1), TETRAHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
157010711
Created by admin on Sat Dec 16 18:06:24 UTC 2023 , Edited by admin on Sat Dec 16 18:06:24 UTC 2023
PRIMARY
CAS
56440-60-9
Created by admin on Sat Dec 16 18:06:24 UTC 2023 , Edited by admin on Sat Dec 16 18:06:24 UTC 2023
PRIMARY
FDA UNII
LPY3U2N8EG
Created by admin on Sat Dec 16 18:06:24 UTC 2023 , Edited by admin on Sat Dec 16 18:06:24 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE