UHD

6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE

Created: 2004-03-29
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count49
Aromatic Bond Count5
2D diagram of UHD
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Chemical Component Summary

Name6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE
Synonyms3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; UHDBT
Systematic Name (OpenEye OEToolkits)6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
FormulaC18 H25 N O3 S
Molecular Weight335.461
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O
InChIInChI1.03 InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
InChIKeyInChI1.03 QCWGBMWYLYKEIU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04799 
Name6-Hydroxy-5-undecyl-4,7-benzothiazoledione
Groups experimental
Synonyms
  • UHDBT
  • 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
  • 5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole
  • 6-Hydroxy-5-undecyl-4,7-benzothiazoledione
CategoriesSulfur Compounds
CAS number43152-58-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytochrome c1, heme protein, mitochondrialMAAAAASLRGVVLGPRGAGLPGARARGLLCSARPGQLPLRTPQAVALSSK...unknown
Cytochrome bMTPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLF...unknown
Cytochrome b-c1 complex subunit 1, mitochondrialMAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQV...unknown
Cytochrome b-c1 complex subunit 2, mitochondrialMKLLTRAGSFSRFYSLKVAPKVKATAAPAGAPPQPQDLEFTKLPNGLVIA...unknown
Cytochrome b-c1 complex subunit 6, mitochondrialMGLEDEQKMLTESGDPEEEEEEEEELVDPLTTVREQCEQLEKCVKARERL...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682