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Product Overview

Product Code

TRC-A635210

CAS Number

186353-53-7

Product Format

Neat

Molecular Formula

C25 H27 N O9

Molecular Weight

485.483

Product Categories

TRC

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Amrubicinol

CAS Number

186353-53-7

Molecular Formula

C25 H27 N O9

Molecular Weight

485.483

Accurate Mass

485.169

SMILES

CC(O)[C@@]1(N)CC(O[C@H]2C[C@@H](O)[C@H](O)CO2)c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c3C1

InChI

InChI=1S/C25H27NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,10,14-17,27-29,32-33H,6-9,26H2,1H3/t10?,14-,15-,16?,17+,25+/m1/s1

IUPAC

(9S)-9-amino-7-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Amrubicinol (Mixture of Diastereomers)

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