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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O3
Molecular Weight 238.2432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(3-HYDROXYPROPYL)THEOPHYLLINE

SMILES

CN1C2=C(N(CCCO)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=QCGRMMZPZDAITA-UHFFFAOYSA-N
InChI=1S/C10H14N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h6,15H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
7-(3-HYDROXYPROPYL)THEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 7-(3-HYDROXYPROPYL)-
Systematic Name English
7-(.GAMMA.-HYDROXYPROPYL)THEOPHYLLINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(3-HYDROXYPROPYL)-1,3-DIMETHYL-
Systematic Name English
NSC-60290
Code English
3,7-DIHYDRO-7-(3-HYDROXYPROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
X-991
Code English
Code System Code Type Description
CAS
23146-04-5
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID80177724
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY
NSC
60290
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY
PUBCHEM
90016
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY
FDA UNII
Q5WZC3H2AY
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-453-7
Created by admin on Sat Dec 16 12:28:01 GMT 2023 , Edited by admin on Sat Dec 16 12:28:01 GMT 2023
PRIMARY