Identitet

N-Nitroso Phenylephrine

CAS 78658-64-7 · C9H12N2O3

01Identitet

Lazychem IDLC-22287
CAS RN78658-64-7
PubChem CID165729371
Molecular formulaC9H12N2O3
Molecular weight196.2 g/mol
IUPAC name(R)-N-(2-Hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylnitrous Amide
InChIKeyJKVBNSISJSOSBA-VIFPVBQESA-N

02Struktur och stereokemi

2D structurePubChem CID 165729371
Two-dimensional chemical structure of N-Nitroso Phenylephrine, CAS 78658-64-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, 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 count1
Secondary amines0
Tertiary amines1
SMILESCN(C[C@@H](C1=CC(=CC=C1)O)O)N=O
InChIInte 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.

05Namn och relationer

API och moderläkemedel

Phenylephrine

Föroreningar och relaterade föreningar

Namn och relationer

  • 3-[(1R)-1-hydroxy-2-[methyl(nitroso)amino]ethyl]phenol
  • Benzenemethanol, 3-hydroxy-a-[(methylnitrosoamino)methyl]-, (R)- (9CI)

Föroreningar och relaterade föreningar

06Källor