trecetilide fumarate (Q27275179)

UNII-C4D4FJ1455 (English)

18 November 2016

chemical formula

C₄₆H₇₈F₂N₄O₁₀S₂

1 reference

UNII-C4D4FJ1455 (English)

18 November 2016

canonical SMILES

CCN(CCCCCC(C)(C)F)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCN(CCCCCC(C)(C)F)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O

1 reference

UNII-C4D4FJ1455 (English)

18 November 2016

isomeric SMILES

CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O

1 reference

UNII-C4D4FJ1455 (English)

InChI=1S/2C21H37FN2O3S.C4H4O4/c2*1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27;5-3(6)1-2-4(7)8/h2*11-14,20,23,25H,5-10,15-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*20-;/m00./s1

18 November 2016

Identifiers

InChI

1 reference

UNII-C4D4FJ1455 (English)

ODFOUAATRQAOLG-MMSVOLSESA-N

18 November 2016

InChIKey

1 reference

Global Substance Registration System

UNII-C4D4FJ1455 (English)

18 November 2016

1 reference

UNII

C4D4FJ1455

trecetilide fumarate (English)

18 November 2016

1 reference

N-(4-{(1S)-4-[Ethyl(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide (2E)-2-butenedioate (2:1) (English)

18 November 2016

2 references

UNII-C4D4FJ1455 (English)

matched by identifier from

18 November 2016

InChIKey

ODFOUAATRQAOLG-MMSVOLSESA-N

1 reference

2 references

Global Substance Registration System

UNII

C4D4FJ1455

trecetilide fumarate (English)