Tożsamość

Proglumetacin

CAS 57132-53-3 · C46H58ClN5O8

01Tożsamość

Lazychem IDLC-101223
CAS RN57132-53-3
PubChem CID4921
Molecular formulaC46H58ClN5O8
Molecular weight844.4 g/mol
IUPAC name3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
InChIKeyPTXGHCGBYMQQIG-UHFFFAOYSA-N

02Struktura i stereochemia

2D structurePubChem CID 4921
Two-dimensional chemical structure of Proglumetacin, CAS 57132-53-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count5
Secondary amines0
Tertiary amines2
SMILESCCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5
InChINie podano

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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 w Indiach

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nazwy i powiązania

API i lek macierzysty

Nie podano

Nazwy i powiązania

  • PROGLUMETACIN
  • 57132-53-3
  • Proglumetacina
  • Proglumetacine
  • Proglumetacinum
  • DTXSID0048842
  • FV919079LU
  • DTXCID3028768
  • CHEBI:76263
  • RefChem:176175
  • M01AB14
  • 3-(4-(2-((2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)oxy)ethyl)piperazin-1-yl)propyl 4-(dipropylcarbamoyl)-4-(phenylformamido)butanoate

Zanieczyszczenia i związki pokrewne

    06Źródła