befetupitant (Q27074983)

Befetupitant (English)

3 October 2016

chemical formula

C₂₉H₂₉F₆N₃O₂

1 reference

Befetupitant (English)

3 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4

1 reference

Befetupitant (English)

InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3

3 October 2016

Commons category

Befetupitant

0 references

Identifiers

InChI

1 reference

Befetupitant (English)

ZGNPLCMMVKCTHM-UHFFFAOYSA-N

3 October 2016

InChIKey

1 reference

Global Substance Registration System

Befetupitant (English)

3 October 2016

1 reference

UNII

RSH7NDI7MI

BEFETUPITANT (English)

3 October 2016

1 reference

Befetupitant (English)

3 October 2016

1 reference

Befetupitant (English)

3 October 2016

1 reference

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

BEFETUPITANT (English)

3 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID00105761

0 references

Guide to Pharmacology Ligand ID

5759

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

5759

Global Substance Registration System

befetupitant (English)

3 October 2016

1 reference

UNII

RSH7NDI7MI

BEFETUPITANT (English)