Tunnistetiedot

Veliparib

Ei ilmoitettu · C13H16N4O

01Tunnistetiedot

Lazychem IDLC-76155
CAS RNEi ilmoitettu
PubChem CID11960529
Molecular formulaC13H16N4O
Molecular weight244.29 g/mol
IUPAC name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
InChIKeyJNAHVYVRKWKWKQ-CYBMUJFWSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 11960529
Two-dimensional chemical structure of Veliparib
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 amines1
Tertiary amines0
SMILESC[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

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      06Lähteet