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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N7O2
Molecular Weight 305.3357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Theophylline, 8-(4-methylpiperidinoazo)-

SMILES

CC1CCN(CC1)\N=N\C2=NC3=C(N2)N(C)C(=O)N(C)C3=O

InChI

InChIKey=DGIMUZCEBVCVEW-WUKNDPDISA-N
InChI=1S/C13H19N7O2/c1-8-4-6-20(7-5-8)17-16-12-14-9-10(15-12)18(2)13(22)19(3)11(9)21/h8H,4-7H2,1-3H3,(H,14,15)/b17-16+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Theophylline, 8-(4-methylpiperidinoazo)-
Systematic Name English
3,9-Dihydro-1,3-dimethyl-8-[2-(4-methyl-1-piperidinyl)diazenyl]-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-[2-(4-methyl-1-piperidinyl)diazenyl]-
Systematic Name English
NSC-62601
Code English
Code System Code Type Description
CAS
73908-80-2
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY
NSC
62601
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY
PUBCHEM
135408720
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY
FDA UNII
GT9WR4978X
Created by admin on Sat Dec 16 12:38:52 GMT 2023 , Edited by admin on Sat Dec 16 12:38:52 GMT 2023
PRIMARY
NIH
NCATS
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