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(Q82890710)
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English
N-[2-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-1-hydroxypropylidene]alanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
294.07309726
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₅ClN₄O₅
0 references
canonical SMILES
CC(NC(=O)C(C)NC(=O)N(CCCl)N=O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)N(CCCl)N=O
0 references
Identifiers
InChI
InChI=1S/C9H15ClN4O5/c1-5(7(15)11-6(2)8(16)17)12-9(18)14(13-19)4-3-10/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t5-,6-/m0/s1
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InChIKey
ORIIFNMRPNZKHW-WDSKDSINSA-N
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CAS Registry Number
93299-11-7
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PubChem CID
130321
1 reference
matched by identifier from
InChIKey
InChIKey
ORIIFNMRPNZKHW-WDSKDSINSA-N
UniChem compound ID
24842488
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80918558
1 reference
matched by identifier from
InChIKey
InChIKey
ORIIFNMRPNZKHW-WDSKDSINSA-N
DSSTOX compound identifier
DTXCID401347506
0 references
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