TRECETILIDE FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C21H37FN2O3S.C4H4O4
Molecular Weight	949.259
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CCN(CCCCCC(C)(C)F)CCC[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1.CCN(CCCCCC(C)(C)F)CCC[C@H](O)C2=CC=C(NS(C)(=O)=O)C=C2

InChI

InChIKey=ODFOUAATRQAOLG-MMSVOLSESA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TRECETILIDE FUMARATE

Official Name

English

U-108342E

Code

English

(-)-4'-((S)-4-(ETHYL(6-FLUORO-6-METHYLHEPTYL)AMINO)-1-HYDROXYBUTYL) METHANESULFONANILIDE FUMARATE (2:1) (SALT)

Common Name

English

TRECETILIDE FUMARATE [USAN]

Common Name

English

(S)-N-(4-(4-(ETHYL(6-FLUORO-6-METHYLHEPTYL)AMINO)-1-HYDROXYBUTYL)PHENYL) METHANESULFONAMIDE (E)-2-BUTENEDIOATE (2:1) (SALT)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47793