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5-Chloro-2'-deoxycytidine

CAT: 0926-NC08279-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NC08279-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32387-56-7
Synonyms
2’-Deoxy-5-chlorocytidine;5-Chloro-2'-deoxy-D-cytidine
MDL Number
MFCD00214259
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C=C (C (=NC2=O) N) Cl) CO) O
Molecular Formula
C9H12CIN3O4
Molecular Weight
261.67 g/mol
Controlled
No

Chemical Information

Cytochlor

Cytochlor has been used in trials studying the treatment of Head and Neck Cancer and Brain and Central Nervous System Tumors.

CAS Number32387-56-7
PubChem CID100802
IUPAC Name4-amino-5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H12ClN3O4
Molecular Weight261.66
XLogP-0.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity398
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)CO)O
InChI
InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey
NGGRGTWYSXYVDK-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of Cytochlor
CAS: 32387-56-7
CID: 100802
Formula: C9H12ClN3O4
MW: 261.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.66
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass261.0516336
Monoisotopic Mass261.0516336
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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