Tunnistetiedot

A-87172.0

Ei ilmoitettu · C32H32N2O

01Tunnistetiedot

Lazychem IDLC-47666
CAS RNEi ilmoitettu
PubChem CID10049917
Molecular formulaC32H32N2O
Molecular weight460.6 g/mol
IUPAC name(Z,2S)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one
InChIKeyIVYLNCUETJNNJU-AYRMWSDDSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 10049917
Two-dimensional chemical structure of A-87172.0
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
SMILESC1=CC=C(C=C1)C[C@@H](C(=O)/C=C(/CC2=CC=CC=C2)\N)N(CC3=CC=CC=C3)CC4=CC=CC=C4
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

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.

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

API ja emolääke

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      06Lähteet