Identitet

(S)-blebbistatin

Ikke angivet · C18H16N2O2

01Identitet

Lazychem IDLC-85394
CAS RNIkke angivet
PubChem CID5287792
Molecular formulaC18H16N2O2
Molecular weight292.3 g/mol
IUPAC name(3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
InChIKeyLZAXPYOBKSJSEX-GOSISDBHSA-N

02Struktur og stereokemi

2D structurePubChem CID 5287792
Two-dimensional chemical structure of (S)-blebbistatin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
SMILESCC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)O
InChIIkke angivet

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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

Ikke angivet

Navne og relationer

    Urenheder og beslægtede forbindelser

      06Kilder