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(Q83017944)
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English
beta-D-arabino-Hexopyranoside, methyl 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2,3-dideoxy-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
311.08841297600003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
ecomustine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈ClN₃O₆
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canonical SMILES
COC1CC(NC(=O)N(CCCl)N=O)C(O)C(CO)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@H]1C[C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O
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Identifiers
InChI
InChI=1S/C10H18ClN3O6/c1-19-8-4-6(9(16)7(5-15)20-8)12-10(17)14(13-18)3-2-11/h6-9,15-16H,2-5H2,1H3,(H,12,17)/t6-,7-,8-,9+/m1/s1
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InChIKey
YQYBWJPESSJLTK-BGZDPUMWSA-N
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CAS Registry Number
116724-62-0
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PubChem CID
3088991
1 reference
matched by identifier from
InChIKey
InChIKey
YQYBWJPESSJLTK-BGZDPUMWSA-N
UniChem compound ID
31963902
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20151482
1 reference
matched by identifier from
InChIKey
InChIKey
YQYBWJPESSJLTK-BGZDPUMWSA-N
DSSTOX compound identifier
DTXCID3073973
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