aliskiren hemifumarate (Q27124205)

PubChem

PubChem CID

6918427

173334-58-2 (English)

18 November 2016

isomeric SMILES

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O

1 reference

173334-58-2 (English)

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

18 November 2016

legal status (medicine)

boxed warning

1 reference

reference URL

InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

Identifiers

InChI

1 reference

173334-58-2 (English)

18 November 2016

2 references

173334-58-2 (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

173334-58-2

1 reference

Global Substance Registration System

UNII

C8A0P8G029

aliskiren hemifumarate (English)

18 November 2016

1 reference

Aliskiren fumarate (English)

18 November 2016

2 references

173334-58-2 (English)

18 November 2016

165363410

1 reference

Reaxys registry number

8750478

1 reference

aliskiren fumarate (English)

6 October 2016

ChEBI ID

53777

mapping relation type

2 references

ALISKIREN FUMARATE (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1

1 reference

ALISKIREN FUMARATE (English)

18 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

NSC number

759185

0 references

EC number

630-415-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.158.717

27 December 2018

ECHA Substance Infocard ID

(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide hemifumarate (English)

quotation

CAS no.: 173334-58-2 (English)

100.158.717

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.158.717

27 December 2018

(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide hemifumarate (English)

quotation

CAS no.: 173334-58-2 (English)

RxNorm ID

732498

1 reference

Global Substance Registration System

UNII

C8A0P8G029