Tunnistetiedot

Namodenoson

Ei ilmoitettu · C18H18ClIN6O4

01Tunnistetiedot

Lazychem IDLC-89831
CAS RNEi ilmoitettu
PubChem CID3035850
Molecular formulaC18H18ClIN6O4
Molecular weight544.7 g/mol
IUPAC name(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
InChIKeyIPSYPUKKXMNCNQ-PFHKOEEOSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 3035850
Two-dimensional chemical structure of Namodenoson
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres4
Ring count4
Secondary amines1
Tertiary amines0
SMILESCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
InChIEi ilmoitettu

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

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

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Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet