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Substance Name: Nicoclonate [INN:DCF]
RN: 10571-59-2
UNII: 9I4T8U1887
InChIKey: XPPXHQUWVYMTDM-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-Cl-N-O2

Molecular Weight

  • 289.76
 
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Names and Synonyms

Name of Substance

  • Nicoclonate [INN:DCF]

Synonyms

  • 1-(4-Chlorphenyl)-2-methylpropyl nicotinat
  • EINECS 234-156-8
  • Nicoclonate
  • Nicoclonato
  • Nicoclonato [INN-Spanish]
  • Nicoclonatum
  • Nicoclonatum [INN-Latin]
  • Nicoclonol
  • S 486
  • UNII-9I4T8U1887

Systematic Names

  • 4-Chlor-alpha-isopropylbenzyl nicotinat
  • Nicoclonate
  • p-Chloro-alpha-isopropylbenzyl nicotinate

Registry Numbers

CAS Registry Number

  • 10571-59-2

FDA UNII

  • 9I4T8U1887

System Generated Number

  • 0010571592

Structure Descriptors

InChI

1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3

InChIKey

XPPXHQUWVYMTDM-UHFFFAOYSA-N

Smiles

c1(cccnc1)C(O[C@@H](c1ccc(cc1)Cl)C(C)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
log P (octanol-water) 4.320 (none)   EST
Atmospheric OH Rate Constant 8.53E-12 cm3/molecule-sec 25 EST

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