Tolvaptan

CAS Registry Number®

150683-30-0

CAS Name

Tolvaptan

Molecular Formula

C26H25ClN2O3

Molecular Mass

448.94

Cite this Page

Tolvaptan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=150683-30-0 (retrieved 2024-11-22) (CAS RN: 150683-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-221 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)

InChIKey

InChIKey=GYHCTFXIZSNGJT-UHFFFAOYSA-N

SMILES

C(=O)(N1C=2C(=CC(Cl)=CC2)C(O)CCC1)C3=C(C)C=C(NC(=O)C4=C(C)C=CC=C4)C=C3

Canonical SMILES

O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(O)CCC2)C(=C1)C)C=4C=CC=CC4C

Other Names for this Substance

  • Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-
  • 1H-1-Benzazepine, benzamide deriv.
  • N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
  • OPC 41061
  • Tolvaptan

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration