Identitāte

N-Nitroso Desmethyl Eletriptan Impurity

Nav norādīts · C21H23N3O3S

01Identitāte

Lazychem IDLC-21749
CAS RNNav norādīts
PubChem CID169444889
Molecular formulaC21H23N3O3S
Molecular weight397.5 g/mol
IUPAC name(R)-3-((1-nitrosopyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
InChIKeyRQJNOWFOBZOZQD-GOSISDBHSA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 169444889
Two-dimensional chemical structure of N-Nitroso Desmethyl Eletriptan Impurity
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
SMILESC1C[C@@H](N(C1)N=O)CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
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

Eletriptan

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    06Avoti