1H-Imidazole-5-carboxamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl- (Q83085863)

chemical compound

Language	Label	Description	Also known as
English	1H-Imidazole-5-carboxamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl-	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

470.3933 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂?Cl₂N?O₃

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canonical SMILES

CCCCN1C(=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-])CCC

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Identifiers

InChI

InChI=1S/C21H29Cl2N5O3/c1-3-5-13-27-18(6-4-2)25-20(28(30)31)19(27)21(29)24-16-7-9-17(10-8-16)26(14-11-22)15-12-23/h7-10H,3-6,11-15H2,1-2H3,(H,24,29)

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InChIKey

MRKNWPVJURUVGD-UHFFFAOYSA-N

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1 reference

matched by identifier from

InChIKey

MRKNWPVJURUVGD-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MRKNWPVJURUVGD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80133502

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1H-Imidazole-5-carboxamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl- (Q83085863)

Statements

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1H-Imidazole-5-carboxamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl- (Q83085863)

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Wikibooks (0 entries)

Wikinews (0 entries)

Wikiquote (0 entries)

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Wikiversity (0 entries)

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