Identitet

Brivanib Alaninate

CAS 649735-63-7 · C22H24FN5O4

01Identitet

Lazychem IDLC-08725
CAS RN649735-63-7
PubChem CID11154925
Molecular formulaC22H24FN5O4
Molecular weight441.46 g/mol
IUPAC nameL-Alanine (1R)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo [2,1-f][1,2,4]triazin-6-yl]oxy]-1-methylethyl Ester
InChIKeyLTEJRLHKIYCEOX-OCCSQVGLSA-N

02Struktur og stereokemi

2D structurePubChem CID 11154925
Two-dimensional chemical structure of Brivanib Alaninate, CAS 649735-63-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C
InChIIkke angivet

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Brivanib

Urenheder og beslægtede forbindelser

Navne og relationer

  • VE0020578
  • Brivanib alaninate
  • BMS-582664
  • alaninate de brivanib
  • alaninato de brivanib
  • alaninati brivanibum
  • U2Y5OFN795
  • Brivanib l-alanine ester
  • BMS-582664-02
  • CHEBI:167656

Urenheder og beslægtede forbindelser

    06Kilder