(Q82973479)

English

N-(1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-hydroxyethylidene)-3,4-dichlorobenzene-1-carbohydrazonic acid--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₃₄H₃₄Cl₃N₃O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

765.1258919480001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₄Cl₃N₃O₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(CO)=NN=C(O)c1ccc(Cl)c(Cl)c1)CC3OC1CC(N)C(O)C(C)O1.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(CO)=NN=C(O)c1ccc(Cl)c(Cl)c1)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H33Cl2N3O11.ClH/c1-13-28(41)19(37)9-23(49-13)50-21-11-34(47,22(12-40)38-39-33(46)14-6-7-17(35)18(36)8-14)10-16-25(21)32(45)27-26(30(16)43)29(42)15-4-3-5-20(48-2)24(15)31(27)44;/h3-8,13,19,21,23,28,40-41,43,45,47H,9-12,37H2,1-2H3,(H,39,46);1H/t13?,19?,21-,23?,28?,34-;/m0./s1

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InChIKey

DFODJOCFAAIAJF-OCMHVTLLSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID201413004

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NSC number

237672

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(Q82973479)

N-(1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-hydroxyethylidene)-3,4-dichlorobenzene-1-carbohydrazonic acid--hydrogen chloride (1/1)

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