Идентичност

Sinorphan

CAS 112573-73-6 · C21H23NO4S

01Идентичност

Lazychem IDLC-101278
CAS RN112573-73-6
PubChem CID60561
Molecular formulaC21H23NO4S
Molecular weight385.5 g/mol
IUPAC namebenzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
InChIKeyODUOJXZPIYUATO-LJQANCHMSA-N

02Структура и стереохимия

2D structurePubChem CID 60561
Two-dimensional chemical structure of Sinorphan, CAS 112573-73-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
SMILESCC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
InChIНе е посочено

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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.

04Статус в Индия

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

05Имена и връзки

API и изходно лекарство

Не е посочено

Имена и връзки

  • ECADOTRIL
  • Sinorphan
  • 112573-73-6
  • BP 1.02
  • Ecadotrilo
  • BAY y 7432
  • 6XSR933SRK
  • Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (S)-
  • DTXCID6025513
  • S-049
  • DTXSID40861036
  • ecadotrilum

Примеси и сродни съединения

    06Източници