Ruboxistaurin

CAS Registry Number®

169939-94-0
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CAS Name

Ruboxistaurin

Molecular Formula

C28H28N4O3

Molecular Mass

468.55

Cite this Page

Ruboxistaurin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169939-94-0 (retrieved 2024-05-03) (CAS RN: 169939-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-239 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1

InChIKey

InChIKey=ZCBUQCWBWNUWSU-SFHVURJKSA-N

SMILES

O=C1C2=C(C=3C=4C(N(C3)CCO[C@H](CN(C)C)CCN5C=C2C=6C5=CC=CC6)=CC=CC4)C(=O)N1

Canonical SMILES

O=C1NC(=O)C=2C3=CN(C=4C=CC=CC34)CCC(OCCN5C=C(C=6C=CC=CC65)C12)CN(C)C

Other Names for this Substance

  • 9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-, (9S)-
  • 9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-, (S)-
  • (9S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione
  • LY 333531
  • Ruboxistaurin

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