Chemical identity

4-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

CAS 13913-16-1 · C9H13N3O5

01Identity

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

Lazychem IDLC-11669
PubChem CID1265901
Name4-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CAS RN13913-16-1
Molecular formulaC9H13N3O5
Molecular weight243.22 g/mol
IUPAC name4-amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
InChIKeyUHDGCWIWMRVCDJ-JBBNEOJLSA-N

02Structure identifiers

2D structurePubChem CID 1265901
2D structure: 4-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, CAS 13913-16-1
Structure of 4-amino-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CAS 13913-16-1). LazyChem record. Source identity: PubChem CID 1265901. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC9H13N3O5
InChIKeyUHDGCWIWMRVCDJ-JBBNEOJLSA-N
Ring count2
Defined stereocentres4
Unassigned stereocentres0
SMILESC1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIInChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8+/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

16 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.

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 13913-16-1 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 13913-16-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cytarabine

View API and impurity family

Other names

  • Cytarabine Impurity 19
  • alpha-D-ribofuranosyl-cytidine
  • 4-Amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
  • alpha-Cytidine
  • 4-Amino-1-alpha-D-ribofuranosyl-2(1H)-pyrimidinone
  • Cytarabine Impurity
  • 4-Amino-1-?-D-ribofuranosyl-2(1H)-pyrimidinone
  • 4-Amino-1-
  • A-D-ribofuranosyl-2(1H)-pyrimidinone

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