(±)-Homatropine

CAS Registry Number®

87-00-3

CAS Name

(±)-Homatropine

Molecular Formula

C16H21NO3

Molecular Mass

275.34

Cite this Page

(±)-Homatropine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87-00-3 (retrieved 2024-11-22) (CAS RN: 87-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?

InChIKey

InChIKey=ZTVIKZXZYLEVOL-MCOXGKPRNA-N

SMILES

O(C(C(O)C1=CC=CC=C1)=O)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C(O)C=3C=CC=CC3

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • 1αH,5αH-Tropan-3α-ol, (±)-mandelate (ester)
  • Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-
  • Homatropin
  • Homatropine

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Deleted or Replaced CAS Registry Numbers

104441-60-3, 16175-83-0

CAS INSIGHTSTM
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