Chemical identity

Lorcaserin N-Acetyl Impurity

CAS 1181690-72-1 · C13H16ClNO

01Identity

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

Lazychem IDLC-19099
PubChem CID68784572
NameLorcaserin N-Acetyl Impurity
CAS RN1181690-72-1
Molecular formulaC13H16ClNO
Molecular weight237.73 g/mol
IUPAC name1-[(1R)-8-Chloro-1,2,4,5-tetrahydro-1-methyl-3H-3-benzazepin-3-yl]ethanone
InChIKeyMBRQQRJEBYRWMN-VIFPVBQESA-N

02Structure identifiers

2D structurePubChem CID 68784572
2D structure: Lorcaserin N-Acetyl Impurity, CAS 1181690-72-1
Structure of Lorcaserin N-Acetyl Impurity (CAS 1181690-72-1). LazyChem record. Source identity: PubChem CID 68784572. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H16ClNO
InChIKeyMBRQQRJEBYRWMN-VIFPVBQESA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@H]1CN(CCC2=C1C=C(C=C2)Cl)C(=O)C
InChIInChI=1S/C13H16ClNO/c1-9-8-15(10(2)16)6-5-11-3-4-12(14)7-13(9)11/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/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 1181690-72-1 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 1181690-72-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Lorcaserin

View API and impurity family

Other names

  • N-Acetyl Lorcaserin
  • 1-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
  • (R)-1-(8-Chloro-1-methyl-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)ethanone
  • Lorcaserin Impurity 1
  • MBRQQRJEBYRWMN-VIFPVBQESA-N
  • (R)-1-[8-Chloro-1-methyl-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl]ethanone

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