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
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
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
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:54:21 GMT 2023
by
admin
on
Sat Dec 16 04:54:21 GMT 2023
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Record UNII |
35441865UU
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Record Status |
Validated (UNII)
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Record Version |
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391926-19-5
Created by
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35441865UU
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ZZ-88
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71587727
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C166639
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300000044513
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CHEMBL2364615
Created by
admin on Sat Dec 16 04:54:21 GMT 2023 , Edited by admin on Sat Dec 16 04:54:21 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |