acetildenafil (Q4673258)

acetildenafil (English)

14 October 2016

chemical formula

C₂₅H₃₄N₆O₃

1 reference

acetildenafil (English)

14 October 2016

canonical SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C

1 reference

acetildenafil (English)

InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)

14 October 2016

Commons category

Acetildenafil

0 references

Identifiers

InChI

1 reference

acetildenafil (English)

RRBRQNALHKQCAI-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

acetildenafil (English)

14 October 2016

2 references

UNII

TP0E2BW57H

acetildenafil (English)

RRBRQNALHKQCAI-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=831217-01-7

1 reference

Acetildenafil (English)

14 October 2016

1 reference

acetildenafil (English)

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

14 October 2016

ChEBI ID

183660

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

DSSTox substance ID

DTXSID10232178

1 reference

stated in

DSSTOX compound identifier

DTXCID10154669

0 references

Human Metabolome Database ID

HMDB0247908

1 reference

based on heuristic

inferred from InChIKey

UNII

TP0E2BW57H

1 reference

stated in

Global Substance Registration System

UNII

TP0E2BW57H