Identitāte

Y-33075

Nav norādīts · C16H16N4O

01Identitāte

Lazychem IDLC-82065
CAS RNNav norādīts
PubChem CID9810884
Molecular formulaC16H16N4O
Molecular weight280.32 g/mol
IUPAC name4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
InChIKeyJTVBXQAYBIJXRP-SNVBAGLBSA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 9810884
Two-dimensional chemical structure of Y-33075
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
SMILESC[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N
InChINav norādīts

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

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.

04Statuss Indijā

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

05Nosaukumi un saistības

API un pamatviela

Nav norādīts

Nosaukumi un saistības

    Piemaisījumi un saistītie savienojumi

      06Avoti