Identitāte

Bromocriptine

CAS 25614-03-3 · C32H40BrN5O5

01Identitāte

Lazychem IDLC-100719
CAS RN25614-03-3
PubChem CID31101
Molecular formulaC32H40BrN5O5
Molecular weight654.6 g/mol
IUPAC name(6aR,9R)-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
InChIKeyOZVBMTJYIDMWIL-AYFBDAFISA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 31101
Two-dimensional chemical structure of Bromocriptine, CAS 25614-03-3
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
InChINav norādīts

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.

04Statuss Indijā

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

05Nosaukumi un saistības

API un pamatviela

Nav norādīts

Nosaukumi un saistības

  • bromocriptine
  • 25614-03-3
  • Bromoergocryptine
  • Bromocriptin
  • Bromoergocriptine
  • Bromergocryptine
  • 2-Bromo-alpha-ergocryptine
  • Bromocriptina
  • 2-Bromo-alpha-ergokryptin
  • 2-Bromo-alpha-ergokryptine
  • Bromocriptinum
  • Ergoset

Piemaisījumi un saistītie savienojumi

    06Avoti