Identita

Ecopipam

CAS 112108-01-7 · C19H20ClNO

01Identita

Lazychem IDLC-100939
CAS RN112108-01-7
PubChem CID107930
Molecular formulaC19H20ClNO
Molecular weight313.8 g/mol
IUPAC name(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
InChIKeyDMJWENQHWZZWDF-PKOBYXMFSA-N

02Struktura a stereochemie

2D structurePubChem CID 107930
Two-dimensional chemical structure of Ecopipam, CAS 112108-01-7
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, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count4
Secondary amines0
Tertiary amines1
SMILESCN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl
InChINeuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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

Neuvedeno

Názvy a vztahy

  • Ecopipam
  • 112108-01-7
  • Sch-39166
  • DTXSID8043814
  • 0X748O646K
  • DTXCID6023814
  • (6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
  • 5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-
  • ecopipamum
  • RefChem:136266
  • (1R,11S)-5-chloro-10-methyl-10-azatetracyclo(9.8.0.02,?.01?,1?)nonadeca-2,4,6,14,16,18-hexaen-4-ol
  • Ecopipam [INN]

Nečistoty a související sloučeniny

    06Zdroje