Tożsamość

N-Nitroso Spirapril

Nie podano · C22H29N3O6S2

01Tożsamość

Lazychem IDLC-22411
CAS RNNie podano
PubChem CID11518877
Molecular formulaC22H29N3O6S2
Molecular weight495.61 g/mol
IUPAC name(S)-7-(N-((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)-N-nitroso-L-alanyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic Acid
InChIKeyGITQEANQXAOYAD-SZMVWBNQSA-N

02Struktura i stereochemia

2D structurePubChem CID 11518877
Two-dimensional chemical structure of N-Nitroso Spirapril
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, has 3 defined stereocentres, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count3
Secondary amines0
Tertiary amines1
SMILESCCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3)N=O
InChINie podano

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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

N-Nitroso/ Spirapril

Zanieczyszczenia i związki pokrewne

Nazwy i powiązania

  • N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)butan-1-ol
  • 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-ol

Zanieczyszczenia i związki pokrewne

06Źródła