Chemical identity

Etomidate N-Oxide

CAS 2433776-55-5 · C14H16N2O3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14743
PubChem CID168444914
NameEtomidate N-Oxide
CAS RN2433776-55-5
Molecular formulaC14H16N2O3
Molecular weight260.29 g/mol
IUPAC name(R)-5-(ethoxycarbonyl)-1-(1-phenylethyl)-1H-imidazole 3-oxide
InChIKeyRPDYKYAQGAJLKM-LLVKDONJSA-N

02Structure identifiers

2D structurePubChem CID 168444914
2D structure: Etomidate N-Oxide, CAS 2433776-55-5
Structure of Etomidate N-Oxide (CAS 2433776-55-5). LazyChem record. Source identity: PubChem CID 168444914. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H16N2O3
InChIKeyRPDYKYAQGAJLKM-LLVKDONJSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESCCOC(=O)C1=C[N+](=CN1[C@H](C)C2=CC=CC=C2)[O-]
InChIInChI=1S/C14H16N2O3/c1-3-19-14(17)13-9-15(18)10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2433776-55-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2433776-55-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Etomidate

View API and impurity family

Other names

  • Etomidate Impurity 7/ Etomidate N-Oxide
  • Etomidate Impurity 7
  • 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester, 3-oxide
  • ethyl 1-oxido-3-[(1R)-1-phenylethyl]imidazol-1-ium-4-carboxylate
  • (R)-5-(Ethoxycarbonyl)-1-(1-phenylethyl)-1H-imidazole 3-oxide
  • Etomidate Impurity N15

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources