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(Q82598576)
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English
4-Amino-1-(2-deoxy-2,2-difluoro-alpha-D-threo-pentofuranosyl)pyrimidin-2(1H)-one--hydrogen chloride (1/1)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
299.04843998399997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
gemcitabine hydrochloride
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₂ClF₂N₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.N=c1ccn(C2OC(CO)C(O)C2(F)F)c(O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.N=c1ccn([C@H]2O[C@H](CO)[C@H](O)C2(F)F)c(O)n1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7+;/m1./s1
0 references
InChIKey
OKKDEIYWILRZIA-DNSZWREKSA-N
0 references
CAS Registry Number
122111-05-1
0 references
PubChem CID
46781465
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OKKDEIYWILRZIA-DNSZWREKSA-N
UniChem compound ID
24335087
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70675880
1 reference
matched by identifier from
InChIKey
InChIKey
OKKDEIYWILRZIA-DNSZWREKSA-N
DSSTOX compound identifier
DTXCID60626629
0 references
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