Identität

CID 156594379

Nicht angegeben · C37H46N2O4S

01Identität

Lazychem IDLC-33616
CAS RNNicht angegeben
PubChem CID156594379
Molecular formulaC37H46N2O4S
Molecular weight614.8 g/mol
IUPAC name(2S,3S)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine;[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
InChIKeyHRPRBIZYBSSUQC-FJIRMZMUSA-N

02Struktur und Stereochemie

2D structurePubChem CID 156594379
Two-dimensional chemical structure of CID 156594379
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count8
Secondary amines1
Tertiary amines1
SMILESCC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C.C1CN2CCC1[C@@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5
InChINicht angegeben

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Status in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

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Namen und Beziehungen

    Verunreinigungen und verwandte Verbindungen

      06Quellen