(Q27273787)

UNII-A92JFM5XNU (English)

inferred from isomeric SMILES

14 October 2016

729.519305624 dalton

1 reference

based on heuristic

chemical formula

C₄₄H₆₇N₅O₄

1 reference

UNII-A92JFM5XNU (English)

14 October 2016

canonical SMILES

CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C

1 reference

UNII-A92JFM5XNU (English)

14 October 2016

isomeric SMILES

C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C

1 reference

UNII-A92JFM5XNU (English)

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

14 October 2016

legal status (medicine)

boxed warning

1 reference

reference URL

InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1

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

Commons category

Ibrexafungerp

0 references

Identifiers

InChI

1 reference

UNII-A92JFM5XNU (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-A92JFM5XNU (English)

14 October 2016

1 reference

UNII

A92JFM5XNU

mk-3118 (English)

14 October 2016

0 references

2 references

UNII-A92JFM5XNU (English)

14 October 2016

SureChEMBL ID

SCHEMBL3479266

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

1 reference

MK-3118 (English)

3 July 2018

1 reference

Human Metabolome Database ID

HMDB0304839

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

A92JFM5XNU

2 references

stated in

UNII

A92JFM5XNU

mk-3118 (English)

14 October 2016