(Q82973475)

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}ethylidene)[1,1'-biphenyl]-4-carbohydrazide--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₄₀H₄₀ClN₃O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

757.24022216 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₀ClN₃O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)c1ccc(-c2ccccc2)cc1)CC3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NNC(=O)c1ccc(-c2ccccc2)cc1)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H39N3O10.ClH/c1-19-34(44)26(41)16-29(52-19)53-28-18-40(50,20(2)42-43-39(49)23-14-12-22(13-15-23)21-8-5-4-6-9-21)17-25-31(28)38(48)33-32(36(25)46)35(45)24-10-7-11-27(51-3)30(24)37(33)47;/h4-15,19,26,28-29,34,44,46,48,50H,16-18,41H2,1-3H3,(H,43,49);1H/t19?,26?,28-,29?,34?,40-;/m0./s1

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InChIKey

HXGOMIWIDNPPPN-ITPBMVEJSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID401413000

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NSC number

236672

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(Q82973475)

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}ethylidene)[1,1'-biphenyl]-4-carbohydrazide--hydrogen chloride (1/1)

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