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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 of LUBABEGRON FUMARATE

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

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C29H29N3O3S
Molecular Weight 499.624
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Lubabegron was initially studied in the Eli Lilly’s lab for potential applications in human health. The drug is a beta-adrenergic agonist that has the effect of increasing the breakdown of fats and increasing energy expenditure in cells. Lubabegron is the first animal drug that was approved to reduce ammonia gas emissions from an animal or its waste. These ammonia gasses can come from many sources and can affect the health of people, animals and the environment.

Approval Year

Targets

Targets

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Experior

Approved Use

drug that reduces gas emissions from an animal or its waste

Launch Date

1.54137605E12

Sample Use Guides

In Vivo Use Guide
fed to beef cattle under specific conditions
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:54:21 UTC 2023
Edited
by admin
on Sat Dec 16 04:54:21 UTC 2023
Record UNII
35441865UU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUBABEGRON FUMARATE
USAN  
USAN  
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
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
FDA UNII
35441865UU
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
USAN
ZZ-88
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
PUBCHEM
71587727
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
NCI_THESAURUS
C166639
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
SMS_ID
300000044513
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
ChEMBL
CHEMBL2364615
Created by admin on Sat Dec 16 04:54:21 UTC 2023 , Edited by admin on Sat Dec 16 04:54:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY