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Substance Name: Lubabegron fumarate [USAN]
RN: 391926-19-5
UNII: 35441865UU
InChIKey: MEEKSPBNXICJNQ-CXUXXADZSA-N

Molecular Formula

  • 2C29-H29-N3-O3-S.C4-H4-O4

Molecular Weight

  • 1115.3358
 
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Names and Synonyms

Results Name

  • Lubabegron fumarate [USAN]

Name of Substance

  • Lubabegron fumarate
  • Lubabegron fumarate [USAN]

Synonyms

  • Lubabegron fumarate
  • UNII-35441865UU

Registry Numbers

CAS Registry Number

  • 391926-19-5

FDA UNII

  • 35441865UU

System Generated Number

  • 0391926195

Structure Descriptors

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

InChIKey

MEEKSPBNXICJNQ-CXUXXADZSA-N

Smiles

CC(C)(Cc1ccc(cc1)Oc2c(cccn2)C#N)NC[C@@H](COc3ccccc3c4cccs4)O.CC(C)(Cc1ccc(cc1)Oc2c(cccn2)C#N)NC[C@@H](COc3ccccc3c4cccs4)O.C(=C/C(=O)O)\C(=O)O