(Q21098900)

Omaveloxolone (English)

3 October 2016

chemical formula

C₃₃H₄₄F₂N₂O₃

1 reference

Omaveloxolone (English)

20 November 2016

canonical SMILES

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)NC(=O)C(C)(F)F)C

1 reference

Omaveloxolone (English)

20 November 2016

isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)NC(=O)C(C)(F)F

1 reference

Omaveloxolone (English)

InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

20 November 2016

Commons category

Omaveloxolone

0 references

Identifiers

InChI

1 reference

Omaveloxolone (English)

20 November 2016

1 reference

Global Substance Registration System

Omaveloxolone (English)

20 November 2016

2 references

UNII

G69Z98951Q

omaveloxolone (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=1474034-05-3

10 April 2021

1 reference

omaveloxolone (English)

20 November 2016

2 references

Omaveloxolone (English)

20 November 2016

ChEBI ID

229661

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

1 reference

1 reference

Guide to Pharmacology Ligand ID

7573

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

7573

RTA 408 (English)

20 November 2016

1 reference

Global Substance Registration System

UNII

G69Z98951Q

2 references

stated in

UNII

G69Z98951Q

omaveloxolone (English)

20 November 2016