fezolinetant (Q27269455)

UNII-83VNE45KXX (English)

14 October 2016

chemical formula

C₁₆H₁₅FN₆OS

1 reference

UNII-83VNE45KXX (English)

14 October 2016

canonical SMILES

CC1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C

1 reference

UNII-83VNE45KXX (English)

14 October 2016

isomeric SMILES

C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C

1 reference

UNII-83VNE45KXX (English)

InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-83VNE45KXX (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-83VNE45KXX (English)

14 October 2016

2 references

UNII

83VNE45KXX

fezolinetant (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1629229-37-3

9 April 2021

2 references

UNII-83VNE45KXX (English)

14 October 2016

ChEBI ID

229236

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1

1 reference

CHEMBL3608680 (English)

14 October 2016

1 reference

1 reference

Guide to Pharmacology Ligand ID

10422

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB15669

1 reference

Global Substance Registration System

UNII

83VNE45KXX

2 references

stated in

UNII

83VNE45KXX

fezolinetant (English)

14 October 2016