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(Q82943945)
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English
N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-4-methylpentanimidic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
487.20046196000004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₅Cl₂N₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(CC(C)C)NC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(27-22(30)20(14-16(2)3)26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)
0 references
InChIKey
SWXCQOFAVJKBPJ-UHFFFAOYSA-N
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CAS Registry Number
4213-38-1
0 references
PubChem CID
250390
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
DSSTox substance ID
DTXSID20962297
0 references
DSSTOX compound identifier
DTXCID20951323
0 references
NSC number
69830
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