Ibipinabant

CAS Registry Number®

464213-10-3

CAS Name

Ibipinabant

Molecular Formula

C23H20Cl2N4O2S

Molecular Mass

487.40

Cite this Page

Ibipinabant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=464213-10-3 (retrieved 2024-11-25) (CAS RN: 464213-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1

InChIKey

InChIKey=AXJQVVLKUYCICH-OAQYLSRUSA-N

SMILES

C(NS(=O)(=O)C1=CC=C(Cl)C=C1)(=NC)N2N=C([C@H](C2)C3=CC=CC=C3)C4=CC=C(Cl)C=C4

Canonical SMILES

O=S(=O)(NC(=NC)N1N=C(C=2C=CC(Cl)=CC2)C(C=3C=CC=CC3)C1)C4=CC=C(Cl)C=C4

Other Names for this Substance

  • 1H-Pyrazole-1-carboximidamide, 3-(4-chlorophenyl)-N-[(4-chlorophenyl)sulfonyl]-4,5-dihydro-N′-methyl-4-phenyl-, (4S)-
  • (4S)-3-(4-Chlorophenyl)-N-[(4-chlorophenyl)sulfonyl]-4,5-dihydro-N′-methyl-4-phenyl-1H-pyrazole-1-carboximidamide
  • SLV 319
  • BMS 646256
  • Ibipinabant

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