7-(2-(Diethylamino)ethyl)theophylline 2-oxobornanesulfonate

CAS

19326-29-5

Catalog Number

ACM19326295

Category

Other Products

Molecular Weight

511.63

Molecular Formula

C₂₃H₃₇N₅O₆S

MSDS COA Spec Sheet

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Specification

IUPAC Name

7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;[(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Canonical SMILES

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

InChI Key

KVZYKZBYZVKXNI-STOWLHSFSA-N

Boiling Point

710.5ºC at 760 mmHg

Flash Point

383.5ºC

EC Number

242-962-6

Exact Mass

511.24600

H-Bond Acceptor

H-Bond Donor

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