(Q82649422)

English

N'-[(1Z)-1-{(2S,4S)-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]formohydrazide--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₈H₃₂ClN₃O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

605.177621904 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂ClN₃O₁₀

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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)=NN=CO)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)=N\N=CO)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H31N3O10.ClH/c1-11-23(33)15(29)7-18(40-11)41-17-9-28(38,12(2)31-30-10-32)8-14-20(17)27(37)22-21(25(14)35)24(34)13-5-4-6-16(39-3)19(13)26(22)36;/h4-6,10-11,15,17-18,23,33,35,37-38H,7-9,29H2,1-3H3,(H,30,32);1H/b31-12-;/t11?,15?,17-,18?,23?,28-;/m0./s1

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InChIKey

VZYRBUSRSMPWND-CPHKESIOSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID30663945

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NSC number

180511

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(Q82649422)

N'-[(1Z)-1-{(2S,4S)-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]formohydrazide--hydrogen chloride (1/1)

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Identifiers

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