Identita

Bromocriptine EP Impurity B / Alpha-Ergocryptine

CAS 511-09-1 · C32H41N5O5

01Identita

Lazychem IDLC-08817
CAS RN511-09-1
PubChem CID134551
Molecular formulaC32H41N5O5
Molecular weight575.71 g/mol
IUPAC name(6aR,9R)-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1- methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro- 8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9- carboxamide
InChIKeyYDOTUXAWKBPQJW-NSLWYYNWSA-N

02Štruktúra a stereochémia

2D structurePubChem CID 134551
Two-dimensional chemical structure of Bromocriptine EP Impurity B / Alpha-Ergocryptine, CAS 511-09-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count7
Secondary amines0
Tertiary amines1
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChINeuvedené

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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 vzťahy

API a materské liečivo

Bromocriptine

Nečistoty a súvisiace zlúčeniny

Názvy a vzťahy

  • Bromocriptine EP Impurity B
  • Alpha-Ergocryptine
  • (5'α)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione
  • Ergocryptine
  • Ergokryptine
  • 511-09-1
  • 6WFB60157B
  • CHEBI:10276
  • DTXSID70893244
  • 12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
  • NSC-169479
  • NSC-407319

Nečistoty a súvisiace zlúčeniny

06Zdroje