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Product Overview

Product Code

TRC-A630405

CAS Number

148218-14-8

Product Format

Neat

Molecular Formula

C29 H34 Br N O11 . Br H

Molecular Weight

733.40

API Family

Doxorubicin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Free base: 106401-68-7

Documentation

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Product Information

Chemical Data

Analyte Name

13,13-Dimethoxy-14-Bromodaunorubicin hydrobromide

CAS Number

148218-14-8

Molecular Formula

C29 H34 Br N O11 . Br H

Molecular Weight

733.40

Accurate Mass

731.0577

SMILES

Br.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(CBr)(OC)OC

InChI

InChI=1S/C29H34BrNO11.BrH/c1-12-23(32)15(31)8-18(41-12)42-17-10-28(37,29(11-30,39-3)40-4)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(38-2)19(13)26(22)35;/h5-7,12,15,17-18,23,32,34,36-37H,8-11,31H2,1-4H3;1H/t12-,15-,17-,18-,23+,28-;/m0./s1

IUPAC

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromo-1,1-dimethoxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide

Alternate CAS Number

Free base: 106401-68-7

Product Data

Storage Temperature

-86°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

API Family

Doxorubicin

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Product Overview

Documentation

Product Information

Chemical Data

Product Data

Product citations

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14-Bromo, 13-Deoxo, 13,13-Dimethoxy Daunorubicin Hydrobromide (>85%)

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Chemical Data

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