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Ancitabine

CAT: 0013-GTR19201866-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201866-06Size:100 mg
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Description
Ancitabine
CAS Number
31698-14-3
Product Name Alternative
Cyclo-CMP, Cyclocytidine, Ancitabine
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology, Pharmacology & Drug Discovery
Purity
99.91% (May vary between batches)
Solubility
DMSO:1 mg/mL (4.44 mM)
Smiles
O[C@H]1[C@]2 ([C@] (N3C (O2) =NC (=N) C=C3) (O[C@@H]1CO) [H]) [H]
Molecular Formula
C9H11N3O4
Molecular Weight
225.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ancitabine

Ancitabine is an organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. It has a role as an antimetabolite, an antineoplastic agent and a prodrug. It is a diol and an organic heterotricyclic compound. It is a conjugate base of an ancitabine(1+).

CAS Number31698-14-3
PubChem CID25051
IUPAC Name(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Molecular FormulaC9H11N3O4
Molecular Weight225.20
XLogP-2.4
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity394
SMILES
C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N
InChI
InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1
InChIKey
BBDAGFIXKZCXAH-CCXZUQQUSA-N
Chemical Structure
2D Structure
2D structure of Ancitabine
CAS: 31698-14-3
CID: 25051
Formula: C9H11N3O4
MW: 225.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.20
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass225.07495584
Monoisotopic Mass225.07495584
Topological Polar Surface Area98.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N0093AAncitabine
441540-01Ancitabine Hydrochloride
HY-N0093-01Ancitabine (hydrochloride)
540094Ancitabine HCl
RM-A140306-01Ancitabine Impurity 6
HY-N0093R-01Ancitabine (hydrochloride) (Standard)
RM-A140304-01Ancitabine Impurity 4
RM-A140302-01Ancitabine Impurity 2
RM-A140305-01Ancitabine Impurity 5
RM-A140301-01Ancitabine Impurity 1

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