Identitet

N-Nitroso Timolol

Ikke angivet · C13H23N5O4S

01Identitet

Lazychem IDLC-22452
CAS RNIkke angivet
PubChem CID171390085
Molecular formulaC13H23N5O4S
Molecular weight345.4 g/mol
IUPAC name(S)-N-(Tert-butyl)-N-(2-hydroxy-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propyl)nitrous amide
InChIKeyJJTVSGFISCETCP-JTQLQIEISA-N

02Struktur og stereokemi

2D structurePubChem CID 171390085
Two-dimensional chemical structure of N-Nitroso Timolol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines2
SMILESCC(C)(C)N(C[C@@H](COC1=NSN=C1N2CCOCC2)O)N=O
InChIIkke angivet

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 i Indien

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

05Navne og relationer

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Timolol

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