structure of Tivantinib

Tivantinib

CAS No.: 1000873-98-2
M. Wt: 369.416
M. Fa: C23H19N3O2
InChI Key: UCEQXRCJXIVODC-PMACEKPBSA-N

Names and Identifiers of 1000873-98-2

CAS Number

1000873-98-2

EC Number

805-160-2

IUPAC Name

(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

InChI

InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1

InChIKey

UCEQXRCJXIVODC-PMACEKPBSA-N

Canonical SMILES

C1CC2=C3C(=CC=C2)C(=CN3C1)C4C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CC2=C3C(=CC=C2)C(=CN3C1)[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65

UNII

PJ4H73IL17

Physical and chemical properties of 1000873-98-2

Boiling Point

716.0±60.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

369.147736

Flash Point

386.8±32.9 °C

Index of Refraction

1.797

LogP

3.26

Molecular Formula

C23H19N3O2

Molecular Weight

369.416

Vapour Pressure

0.0±2.3 mmHg at 25°C

Safety Information of 1000873-98-2

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Retrosynthesis analysis of 1000873-98-2

  • Route#1

    Cas:345261-20-3
    Cas:1000873-98-2