(Q82973470)

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)-4-(dimethylamino)benzohydrazide--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₃₆H₄₁ClN₄O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

724.251121192 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₁ClN₄O₁₀

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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(N(C)C)cc1)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(C)=NNC(=O)c1ccc(N(C)C)cc1)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H40N4O10.ClH/c1-16-30(41)22(37)13-25(49-16)50-24-15-36(47,17(2)38-39-35(46)18-9-11-19(12-10-18)40(3)4)14-21-27(24)34(45)29-28(32(21)43)31(42)20-7-6-8-23(48-5)26(20)33(29)44;/h6-12,16,22,24-25,30,41,43,45,47H,13-15,37H2,1-5H3,(H,39,46);1H/t16?,22?,24-,25?,30?,36-;/m0./s1

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InChIKey

CLLLLOXMTHXCIT-NFXKRCPCSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID101412996

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NSC number

227013

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(Q82973470)

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)-4-(dimethylamino)benzohydrazide--hydrogen chloride (1/1)

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