Tożsamość

N-Nitroso Berotralstat

Nie podano · C30H25F4N7O2

01Tożsamość

Lazychem IDLC-21572
CAS RNNie podano
PubChem CID172866471
Molecular formulaC30H25F4N7O2
Molecular weight591.57 g/mol
IUPAC name(R)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)((cyclopropylmethyl)(nitroso)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
InChIKeyHSMXLJYWWDRSBG-MUUNZHRXSA-N

02Struktura i stereochemia

2D structurePubChem CID 172866471
Two-dimensional chemical structure of N-Nitroso Berotralstat
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count5
Secondary amines0
Tertiary amines1
SMILESC1CC1CN([C@@H](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N)N=O
InChINie podano

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.

04Status w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

Berotralstat

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Nazwy i powiązania

    Zanieczyszczenia i związki pokrewne

      06Źródła