spirofylline (Q27231300)

Spirofylline (English)

13 October 2016

chemical formula

C₂₄H₂₈N₆O₅

1 reference

Spirofylline (English)

13 October 2016

canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CC4(CCN(CC4)CCC5=CC=CC=C5)OC3=O

1 reference

Spirofylline (English)

InChI=1S/C24H28N6O5/c1-26-20-19(21(32)27(2)22(26)33)29(16-25-20)14-18(31)30-15-24(35-23(30)34)9-12-28(13-10-24)11-8-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3

13 October 2016

Identifiers

InChI

1 reference

Spirofylline (English)

DSRGPEAMMDAUGF-UHFFFAOYSA-N

13 October 2016

InChIKey

1 reference

Global Substance Registration System

Spirofylline (English)

13 October 2016

1 reference

UNII

000F949089

spirofylline (English)

13 October 2016

1 reference

1,3-Dimethyl-7-{2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]dec-3-yl]ethyl}-3,7-dihydro-1H-purine-2,6-dione (English)

13 October 2016

1 reference

Spirofylline (English)

13 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

SPIROFYLLINE (English)

13 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

000F949089

spirofylline (English)