Identiteet

Samidorphan

CAS 852626-89-2 · C21H26N2O4

01Identiteet

Lazychem IDLC-101272
CAS RN852626-89-2
PubChem CID11667832
Molecular formulaC21H26N2O4
Molecular weight370.4 g/mol
IUPAC name(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
InChIKeyRYIDHLJADOKWFM-MAODMQOUSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 11667832
Two-dimensional chemical structure of Samidorphan, CAS 852626-89-2
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, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines1
SMILESC1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O
InChIPole loetletud

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

  • SAMIDORPHAN
  • 852626-89-2
  • ALKS 33
  • samidorfano
  • RDC-0313-00
  • 7W2581Z5L8
  • RDC-0313
  • DTXSID401030402
  • (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
  • ALKS-5461 COMPONENT SAMIDORPHAN
  • samidorphanum
  • RefChem:181100

Lisandid ja seotud ühendid

    06Allikad