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Substance Name: Dasolampanel etibutil tosylate [USAN]
RN: 503291-53-0
UNII: 9QY59JQF76
InChIKey: WLTMCPAAIJIZKG-BVNPURGCSA-N

Classification Code

  • Treatment of Chronic Pain

Molecular Formula

  • C23-H32-Cl-N5-O3.C7-H8-O3-S

Molecular Weight

  • 634.194
 
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Names and Synonyms

Results Name

  • Dasolampanel etibutil tosylate [USAN]

Name of Substance

  • Dasolampanel etibutas tosylate [USAN]
  • Dasolampanel etibutil tosylate [USAN]

Synonyms

  • 2-Ethylbutyl (3S,4aS,6S,8aR)-6-(3-chloro-2-(1H-tetrazol-5- yl)phenoxy)decahydroisoquinoline-3-carboxylate mono(4-methylbenzenesulfonate)
  • Dasolampanel etibutas tosylate
  • Dasolampanel etibutil tosylate
  • LY 545694 tosylate
  • UNII-9QY59JQF76

Systematic Name

  • 3-Isoquinolinecarboxylic acid, 6-(3-chloro-2-(1H-tetrazol-5-yl)phenoxy)decahydro-, 2- ethylbutyl ester, (3S,4aS,6S,8aR)-, mono(4-methylbenzenesulfonate)

Registry Numbers

CAS Registry Number

  • 503291-53-0

FDA UNII

  • 9QY59JQF76

System Generated Number

  • 0503291530

Structure Descriptors

InChI

1S/C23H32ClN5O3.C7H8O3S/c1-3-14(4-2)13-31-23(30)19-11-16-10-17(9-8-15(16)12-25-19)32-20-7-5-6-18(24)21(20)22-26-28-29-27-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17,19,25H,3-4,8-13H2,1-2H3,(H,26,27,28,29);2-5H,1H3,(H,8,9,10)/t15-,16+,17-,19-;/m0./s1

InChIKey

WLTMCPAAIJIZKG-BVNPURGCSA-N

Smiles

CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc3cccc(Cl)c3c4nnn[nH]4.Cc5ccc(cc5)S(=O)(=O)O