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Cytarabine hydrochloride

CAT: 0607-B1100-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-B1100-1000Size:1 g
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Description
DNA synthsis inhibitor
CAS Number
69-74-9
Product Name Alternative
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
Field of Research
DNA Damage DNA Repair DNA Synthesis
Purity
0.999
Form
A solid
Solubility
insoluble in EtOH; ≥14.2 mg/mL in DMSO; ≥64.2 mg/mL in H2O
Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl
Molecular Formula
C9H14ClN3O5
Molecular Weight
279.68
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cytarabine Hydrochloride

Crystals (from aqueous ethanol) or fluffy white powder. (NTP, 1992)

CAS Number69-74-9
PubChem CID6252
IUPAC Name4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
Molecular FormulaC9H14ClN3O5
Molecular Weight279.68
Topological Polar Surface Area129
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity383
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl
InChI
InChI=1S/C9H13N3O5.ClH/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);1H/t4-,6-,7+,8-;/m1./s1
InChIKey
KCURWTAZOZXKSJ-JBMRGDGGSA-N
Chemical Structure
2D Structure
2D structure of Cytarabine Hydrochloride
CAS: 69-74-9
CID: 6252
Formula: C9H14ClN3O5
MW: 279.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.68
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass279.0621982
Monoisotopic Mass279.0621982
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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