metescufylline (Q27280460)

Metescufylline (English)

14 October 2016

chemical formula

C₂₅H₃₁N₅O₈

1 reference

Metescufylline (English)

14 October 2016

canonical SMILES

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O

1 reference

Metescufylline (English)

InChI=1S/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)

14 October 2016

Identifiers

InChI

1 reference

Metescufylline (English)

14 October 2016

1 reference

Global Substance Registration System

Metescufylline (English)

14 October 2016

2 references

metescufylline (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=15518-82-8

10 April 2021

1 reference

metescufylline (English)

14 October 2016

2 references

Metescufylline (English)

matched by identifier from

14 October 2016

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

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

DTXCID0088339

0 references

EC number

239-550-3

1 reference

stated in

Global Substance Registration System

metescufylline (English)

ECHA Substance Infocard ID

14 October 2016

100.035.940

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.035.940

27 December 2018

Metescufylline (English)

quotation

CAS no.: 15518-82-8 (English)

Global Substance Registration System

2 references

stated in

metescufylline (English)

matched by identifier from

14 October 2016