(Q82980774)

English

3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside--hydrogen chloride (1/1)

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

745.2653742880001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₄ClNO₁₀

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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)O)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)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)O)C[C@@H]3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C41H43NO10.ClH/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47;/h4-16,22-23,28,30-31,36,43-44,46,48-49H,17-21H2,1-3H3;1H/t22?,23?,28?,30-,31?,36?,41-;/m0./s1

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InChIKey

OFIFBABFTAUYNZ-XHMRIPDGSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701418192

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NSC number

278170

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(Q82980774)

3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside--hydrogen chloride (1/1)

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Identifiers

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