Identiteit

2'-Deoxy-2'-methylenecytidine

CAS 119804-96-5 · C10H13N3O4

01Identiteit

Lazychem IDLC-28288
CAS RN119804-96-5
PubChem CID3005913
Molecular formulaC10H13N3O4
Molecular weight239.23 g/mol
IUPAC name4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylenetetrahydrofuran-2-yl)pyrimidin-2(1H)-one
InChIKeyPULHLIOPJXPGJN-BWVDBABLSA-N

02Structuur en stereochemie

2D structurePubChem CID 3005913
Two-dimensional chemical structure of 2'-Deoxy-2'-methylenecytidine, CAS 119804-96-5
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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count2
Secondary amines0
Tertiary amines0
SMILESC=C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChINiet vermeld

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.

04Status in India

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

05Namen en relaties

API en moedergeneesmiddel

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Namen en relaties

  • Sofosbuvir Impurity 123
  • 2'-Deoxy-2'-methylenecytidine
  • 2'-Methyl-2'-deoxyidenecytidine
  • 2'-Deoxy-2'-methylidenecytidine
  • 119804-96-5
  • Cytidine, 2'-deoxy-2'-methylene-
  • FLT15E4X9N
  • RefChem:80253
  • 1-(2-deoxy-2-methylene-erythro-pentofuranosyl)cytidine
  • UNII-FLT15E4X9N
  • SCHEMBL18265
  • CHEMBL4745492

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06Bronnen