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(Q82546035)
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English
(2R,3S)-1,4-Bis[(2-chloroethyl)amino]butane-2,3-diol--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
280.051210888
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₉Cl₃N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.OC(CNCCCl)C(O)CNCCCl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.O[C@H](CNCCCl)[C@@H](O)CNCCCl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H18Cl2N2O2.ClH/c9-1-3-11-5-7(13)8(14)6-12-4-2-10;/h7-8,11-14H,1-6H2;1H/t7-,8+;
0 references
InChIKey
RRGQNXVHMVLYGG-KVZVIFLMSA-N
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CAS Registry Number
28069-00-3
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PubChem CID
24185246
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60523429
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30637080
0 references
DSSTOX compound identifier
DTXCID50587831
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NSC number
39073
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44435
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