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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13BrN4O2
Molecular Weight 301.14
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(3-Bromopropyl)theophylline

SMILES

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

InChI

InChIKey=IXYPCFPAFIVIGP-UHFFFAOYSA-N
InChI=1S/C10H13BrN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
7-(3-Bromopropyl)theophylline
Systematic Name English
1H-Purine-2,6-dione, 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-
Systematic Name English
7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Systematic Name English
Theophylline, 7-(3-bromopropyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
90018
Created by admin on Sat Dec 16 12:18:45 GMT 2023 , Edited by admin on Sat Dec 16 12:18:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-455-8
Created by admin on Sat Dec 16 12:18:45 GMT 2023 , Edited by admin on Sat Dec 16 12:18:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID00177726
Created by admin on Sat Dec 16 12:18:45 GMT 2023 , Edited by admin on Sat Dec 16 12:18:45 GMT 2023
PRIMARY
FDA UNII
2TSM4WS9U4
Created by admin on Sat Dec 16 12:18:45 GMT 2023 , Edited by admin on Sat Dec 16 12:18:45 GMT 2023
PRIMARY
CAS
23146-06-7
Created by admin on Sat Dec 16 12:18:45 GMT 2023 , Edited by admin on Sat Dec 16 12:18:45 GMT 2023
PRIMARY