Chemical identity

Cytidine Impurity 1

CAS 886538-46-1 · C13H19N3O6

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-11677
PubChem CID11609328
NameCytidine Impurity 1
CAS RN886538-46-1
Molecular formulaC13H19N3O6
Molecular weight313.31 g/mol
IUPAC name((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl isobutyrate
InChIKeyZSNCMQJKEZPZIQ-QCNRFFRDSA-N

02Structure identifiers

2D structurePubChem CID 11609328
2D structure: Cytidine Impurity 1, CAS 886538-46-1
Structure of Cytidine Impurity 1 (CAS 886538-46-1). LazyChem record. Source identity: PubChem CID 11609328. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H19N3O6
InChIKeyZSNCMQJKEZPZIQ-QCNRFFRDSA-N
Ring count2
Defined stereocentres4
Unassigned stereocentres0
SMILESCC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChIInChI=1S/C13H19N3O6/c1-6(2)12(19)21-5-7-9(17)10(18)11(22-7)16-4-3-8(14)15-13(16)20/h3-4,6-7,9-11,17-18H,5H2,1-2H3,(H2,14,15,20)/t7-,9-,10-,11-/m1/s1

03Stereochemistry

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

Defined stereocentres42D structure
Unassigned stereocentres02D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 886538-46-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 886538-46-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cytidine

View API and impurity family

Other names

  • ((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl isobutyrate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources