(Q82980785)

English

3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

671.2133387160001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈ClNO₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(NCc2ccccc2)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(O)CO)C[C@@H]3OC1CC(NCc2ccccc2)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H37NO11.ClH/c1-16-29(38)20(35-14-17-7-4-3-5-8-17)11-24(45-16)46-22-13-34(43,23(37)15-36)12-19-26(22)33(42)28-27(31(19)40)30(39)18-9-6-10-21(44-2)25(18)32(28)41;/h3-10,16,20,22-24,29,35-38,40,42-43H,11-15H2,1-2H3;1H/t16?,20?,22-,23?,24?,29?,34-;/m0./s1

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InChIKey

GWXRDVSXQHZMAN-VDSSGGEISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401418200

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NSC number

269434

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(Q82980785)

3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

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