LUBABEGRON FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H29N3O3S.C4H4O4
Molecular Weight	1115.32
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.CC(C)(CC1=CC=C(OC2=NC=CC=C2C#N)C=C1)NC[C@H](O)COC3=CC=CC=C3C4=CC=CS4.CC(C)(CC5=CC=C(OC6=NC=CC=C6C#N)C=C5)NC[C@H](O)COC7=CC=CC=C7C8=CC=CS8

InChI

InChIKey=MEEKSPBNXICJNQ-CXUXXADZSA-N

InChI=1S/2C29H29N3O3S.C4H4O4/c2*1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27;5-3(6)1-2-4(7)8/h2*3-16,23,32-33H,17,19-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*23-;/m00./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LUBABEGRON FUMARATE

Official Name

English

BIS(2-(4-(2-(((2S)-2-HYDROXY-3-(2-(THIOPHEN-2-YL)PHENOXY)PROPYL(AMINO)-2-METHYLPROPYL)PHENOXY(PYRIDINE-3-CARBONITRILE) (2E)-BUT-2-ENEDIOATE

Common Name

English

LY-591281

Code

English

LUBABEGRON HEMIFUMARATE

Common Name

English

LUBABEGRON FUMARATE [USAN]

Common Name

English

LY591281

Code

English

3-PYRIDINECARBONITRILE, 2-(4-(2-(((2S)-2-HYDROXY-3-(2-(2-THIENYL)PHENOXY)PROPYL)AMINO)-2-METHYLPROPYL)PHENOXY)-, (2E)-2-BUTENEDIOATE (2:1) (SALT)

Common Name

English

Code System Code Type Description

CAS

391926-19-5