N-Nitroso Spirapril

01Identita

Lazychem ID	LC-22411
CAS RN	Neuvedeno
PubChem CID	11518877
Molecular formula	C22H29N3O6S2
Molecular weight	495.61 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
InChIKey	GITQEANQXAOYAD-SZMVWBNQSA-N

02Struktura a stereochemie

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 stereocentres	3
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3)N=O
InChI	Neuvedeno

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.

CAS not listed

GITQEANQXAOYAD-SZMVWBNQSA-N

Current configuration

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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

N-Nitroso/ Spirapril

Nečistoty a související sloučeniny

Názvy a vztahy

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

06Zdroje

S01
PubChem CID 11518877
Structure and machine-readable chemical identifiers.