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Details

Stereochemistry RACEMIC
Molecular Formula C7H8N4O2.C3H9NO
Molecular Weight 255.2737
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOPHYLLINE ISOPROPANOLAMINE

SMILES

CC(O)CN.CN1C2=C(N=CN2)C(=O)N(C)C1=O

InChI

InChIKey=QFJDTNNSYMKICD-UHFFFAOYSA-N
InChI=1S/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(5)2-4/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
THEOPHYLLINE ISOPROPANOLAMINE
MI  
Common Name English
THEOPHYLLINE SALT WITH 1-AMINO-2-PROPANOL
Systematic Name English
THEOPHYLLINE ISOPROPANOLAMINE [MI]
Common Name English
OXYPHYLLINE
Brand Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 1-AMINO-2-PROPANOL (1:1)
Systematic Name English
THEOPROPANOL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30971390
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-017-8
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
CAS
5600-19-1
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
PUBCHEM
110681
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
MERCK INDEX
m10706
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY Merck Index
FDA UNII
UBN5I4OP1X
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY