aprocitentan (Q27146161)

Despropyl Macitentan (English)

20 November 2016

canonical SMILES

C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br

1 reference

Despropyl Macitentan (English)

InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)

20 November 2016

Commons category

Aprocitentan

0 references

Identifiers

InChI

1 reference

Despropyl Macitentan (English)

20 November 2016

2 references

Despropyl Macitentan (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1103522-45-7

1 reference

Global Substance Registration System

UNII

MZI81HV01P

act-132577 (English)

20 November 2016

1 reference

N-[5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinyl]sulfuric diamide (English)

20 November 2016

2 references

Despropyl Macitentan (English)

20 November 2016

Reaxys registry number

11340634

1 reference

ACT-132577 (English)

8 October 2016

mapping relation type

2 references

CHEMBL2165326 (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)

1 reference

CHEMBL2165326 (English)

20 November 2016

2 references

inferred from InChIKey

Guide to Pharmacology Ligand ID

1 reference

10070

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB15059

1 reference

UNII

MZI81HV01P

2 references

Global Substance Registration System

UNII

MZI81HV01P

act-132577 (English)

20 November 2016