Chemical identity

2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid

CAS 2306217-15-0 · C17H17N3O5

01Identity

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

Lazychem IDLC-02168
PubChem CID154703630
Name2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid
CAS RN2306217-15-0
Molecular formulaC17H17N3O5
Molecular weight343.34 g/mol
IUPAC name2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid
InChIKeyANLPQXPHGCEMKB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 154703630
Two-dimensional chemical structure of 2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid, CAS 2306217-15-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C2CN(CC1C3=CC4=NC=CN=C4C=C23)C(=O)C(C(C(=O)O)O)O
InChINot listed
Formula from structureC17H17N3O5
Molecular weight from structure343.34 g/mol

03Stereochemistry

The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before 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 / RCSNO EXACT MATCH FOUNDCAS 2306217-15-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2306217-15-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Varenicline

View API and impurity family

Other names

  • Varenicline Tartrate Tetramide Impurity
  • Varenicline Tartaramide Formic Acid Salt
  • Varenicline Impurity 18
  • 2,3-Dihydroxy-4-oxo-4-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)butanoic acid
  • 2306217-15-0
  • 2,3-Dihydroxy-4-oxo-4-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)butanoic acid
  • 6,?7,?9,?10-?Tetrahydro-??,??-?dihydroxy-??-?oxo-6,?10-?methano-?8H-?pyrazino[2,?3-?h]?[3]?benzazepine-?8-?butanoic Acid

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