Identität

Sumatriptan BP Impurity 1 (Free Base)

Nicht angegeben · C14H22N3O3S

01Identität

Lazychem IDLC-28647
CAS RNNicht angegeben
PubChem CID171380692
Molecular formulaC14H22N3O3S
Molecular weight312.41 g/mol
IUPAC name3a-hydroxy-1,1-dimethyl-5-((N-methylsulfamoyl)methyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium
InChIKeyNXAGXABYECUPGD-UHFFFAOYSA-N

02Struktur und Stereochemie

2D structurePubChem CID 171380692
Two-dimensional chemical structure of Sumatriptan BP Impurity 1 (Free Base)
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines1
Tertiary amines0
SMILESO=S(CC1=CC2=C(NC3C2(O)CC[N+]3(C)C)C=C1)(NC)=O
InChINicht angegeben

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Sumatriptan

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

    Verunreinigungen und verwandte Verbindungen

    06Quellen