Identiteta

Atropine

CAS 13269-35-7 · C17H23NO3

01Identiteta

Lazychem IDLC-100676
CAS RN13269-35-7
PubChem CID637577
Molecular formulaC17H23NO3
Molecular weight289.4 g/mol
IUPAC name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
InChIKeyRKUNBYITZUJHSG-QXULXFAOSA-N

02Struktura in stereokemija

2D structurePubChem CID 637577
Two-dimensional chemical structure of Atropine, CAS 13269-35-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3
InChINi navedeno

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Status v Indiji

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

05Imena in povezave

API in matično zdravilo

Ni navedeno

Imena in povezave

  • (+)-HYOSCYAMINE
  • (+)-Atropine
  • ((1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) (2R)-3-Hydroxy-2-Phenylpropanoate
  • d-hyoscyamine
  • (R)-atropine
  • V3203SI72M
  • [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
  • tropan-3alpha-yl (2R)-3-hydroxy-2-phenylpropanoate
  • (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate

Nečistote in sorodne spojine

    06Viri