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Substance Name: Clobenoside [INN]
RN: 29899-95-4
UNII: 8427MP5VHD
InChIKey: UOYOWSGCMGEQHC-MSEXXDKFSA-N

Molecular Formula

  • C25-H32-Cl2-O6

Molecular Weight

  • 499.4278
 
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Names and Synonyms

Name of Substance

  • Clobenoside
  • Clobenoside [INN]

Synonyms

  • 43853
  • Ba 43853
  • Clobenoside
  • Clobenosido
  • Clobenosido [INN-Spanish]
  • Clobenosidum
  • Clobenosidum [INN-Latin]
  • EINECS 249-940-5
  • UNII-8427MP5VHD

Systematic Names

  • Clobenoside
  • Ethyl 5,6-bis-O-(p-chlorobenzyl)-3-O-propyl-D-glucofuranoside

Registry Numbers

CAS Registry Number

  • 29899-95-4

FDA UNII

  • 8427MP5VHD

System Generated Number

  • 0029899954

Structure Descriptors

InChI

1S/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3/t21-,22-,23-,24-,25?/m1/s1

InChIKey

UOYOWSGCMGEQHC-MSEXXDKFSA-N

Smiles

CCCO[C@@H]1[C@H](C(O[C@@H]1[C@@H](COCc2ccc(cc2)Cl)OCc3ccc(cc3)Cl)OCC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.100 (none)   EST
Atmospheric OH Rate Constant 1.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.