Indicine

CAS Registry Number®

480-82-0

CAS Name

Indicine

Molecular Formula

C15H25NO5

Molecular Mass

299.36

Cite this Page

Indicine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=480-82-0 (retrieved 2024-11-21) (CAS RN: 480-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97-98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1

InChIKey

InChIKey=SFVVQRJOGUKCEG-XTWPYSKKSA-N

SMILES

C(OC([C@@](C(C)C)([C@H](C)O)O)=O)C=1[C@]2(N(CC1)CC[C@H]2O)[H]

Canonical SMILES

O=C(OCC1=CCN2CCC(O)C12)C(O)(C(O)C)C(C)C

Other Names for this Substance

  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-
  • Indicine
  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1R-[1α,7(2R*,3S*),7aβ]]-
  • (+)-Indicine
  • Retronecine, 7-[(2R,3S)-2,3-dihydroxy-2-isopropylbutyrate]

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration