Desthiobiotin

CAS Registry Number®

533-48-2
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CAS Name

Desthiobiotin

Molecular Formula

C10H18N2O3

Molecular Mass

214.26

Cite this Page

Desthiobiotin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=533-48-2 (retrieved 2024-04-24) (CAS RN: 533-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1

InChIKey

InChIKey=AUTOLBMXDDTRRT-JGVFFNPUSA-N

SMILES

C(CCCCC(O)=O)[C@@H]1[C@H](C)NC(=O)N1

Canonical SMILES

O=C1NC(C)C(N1)CCCCCC(=O)O

Other Names for this Substance

  • 4-Imidazolidinehexanoic acid, 5-methyl-2-oxo-, (4R,5S)-
  • 4-Imidazolidinehexanoic acid, 5-methyl-2-oxo-, (4R-cis)-
  • (4R,5S)-5-Methyl-2-oxo-4-imidazolidinehexanoic acid
  • Biotin, dethio-
  • Desthiobiotin

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Deleted or Replaced CAS Registry Numbers

17866-65-8, 29117-52-0

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