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(Q76009692)
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English
1-(2-chloroethyl)-3-[(1R,2R)-2-hydroxycyclohexyl]-1-nitrosourea
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
249.088019052
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₆ClN₃O₃
0 references
canonical SMILES
O=NN(CCCl)C(=O)NC1CCCCC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC[C@H]([C@@H](C1)NC(=O)N(CCCl)N=O)O
0 references
Identifiers
InChI
InChI=1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-3-1-2-4-8(7)14/h7-8,14H,1-6H2,(H,11,15)/t7-,8-/m1/s1
0 references
InChIKey
STQSMIAHSQBRBH-HTQZYQBOSA-N
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CAS Registry Number
58494-43-2
0 references
PubChem CID
94083
1 reference
matched by identifier from
InChIKey
InChIKey
STQSMIAHSQBRBH-HTQZYQBOSA-N
UniChem compound ID
27279747
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30207207
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
STQSMIAHSQBRBH-HTQZYQBOSA-N
DSSTOX compound identifier
DTXCID90129698
0 references
NSC number
253947
0 references
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