Ispinesib mesylate

CAS Registry Number®

514820-03-2
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CAS Name

Ispinesib mesylate

Molecular Formula

C30H33ClN4O2.CH4O3S

Cite this Page

Ispinesib mesylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=514820-03-2 (retrieved 2024-05-04) (CAS RN: 514820-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H33ClN4O2.CH4O3S/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22;1-5(2,3)4/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3;1H3,(H,2,3,4)/t27-;/m1./s1

InChIKey

InChIKey=MRKSDPIHUJSKRA-HZPIKELBSA-N

SMILES

[C@@H](N(C(=O)C1=CC=C(C)C=C1)CCCN)(C(C)C)C=2N(CC3=CC=CC=C3)C(=O)C=4C(N2)=CC(Cl)=CC4.S(C)(=O)(=O)O

Canonical SMILES

O=C(C1=CC=C(C=C1)C)N(CCCN)C(C2=NC=3C=C(Cl)C=CC3C(=O)N2CC=4C=CC=CC4)C(C)C.O=S(=O)(O)C

Other Names for this Substance

  • Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-, methanesulfonate (1:1)
  • Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methyl-, monomethanesulfonate
  • CK 0238273
  • Ispinesib mesylate
  • SB 715992S

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