nelotanserin (Q6990276)

NELOTANSERIN (English)

14 October 2016

chemical formula

C₁₈H₁₅BrF₂N₄O₂

1 reference

NELOTANSERIN (English)

14 October 2016

canonical SMILES

CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)F)F)OC

1 reference

NELOTANSERIN (English)

InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)

14 October 2016

Identifiers

InChI

1 reference

NELOTANSERIN (English)

COSPVUFTLGQDQL-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

NELOTANSERIN (English)

14 October 2016

2 references

UNII

4ZA73QEW2P

nelotanserin (English)

COSPVUFTLGQDQL-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=839713-36-9

1 reference

Nelotanserin (English)

14 October 2016

1 reference

NELOTANSERIN (English)

14 October 2016

ChEBI ID

177438

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

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

NELOTANSERIN (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

Nelotanserin (English)

3 July 2018

1 reference

UNII

4ZA73QEW2P