Identité

Bromocriptine EP Impurity C

CAS 65700-36-9 · C32H40BrN5O5

01Identité

Lazychem IDLC-08818
CAS RN65700-36-9
PubChem CID13187203
Molecular formulaC32H40BrN5O5
Molecular weight654.61 g/mol
IUPAC name(6aR,9S)-5-bromo-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 ((8S)-2-bromo-α-ergocryptine)
InChIKeyOZVBMTJYIDMWIL-SHUSXKRSSA-N

02Structure et stéréochimie

2D structurePubChem CID 13187203
Two-dimensional chemical structure of Bromocriptine EP Impurity C, CAS 65700-36-9
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, contains at least one halogen atom. 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=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
InChINon indiqué

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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Bromocriptine

Impuretés et composés apparentés

Noms et relations

  • Ergotaman-3`,6`,18-trione,2-bromo-12`-hydroxy-2`-(1-methylethyl)-5`-(2-methylpropyl)-,(5`alpha,8alpha)
  • (8S)-2-bromo-alpha-ergocryptine
  • Isobromocriptine
  • 65700-36-9
  • (6aR,9S)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • Bromocriptine EP Impurity C
  • 8-Epibromocriptine
  • (8S)-2-Bromo-?-Ergocryptine
  • (8S)-2-Bromo-
  • A-Ergocryptine
  • V97HW33ZMF
  • 2-Bromo-alpha-ergocryptinine

Impuretés et composés apparentés

06Sources