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ADRIAMYCINONE

ADRIAMYCINONE structure

CAS No:
24385-10-2
Formula:
C21H18O9
Chemical Name:
ADRIAMYCINONE
Synonyms:
ADRIAMYCINONE;adriamycinaglycone;8-glycoloyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-Naphthacenedione;Doxorubicin aglycone;Doxorubicinone;Epirubicin aglycone;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-;7,8,9,10-Tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxy acetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Red Solid

Adriamycinone is a member of tetracenes and a quinone.

ADRIAMYCINONE Basic Attributes

Molecular Weight：

414.36

Exact Mass：

414.09500

UNII：

X023T6C35L

HScode：

29147000

Characteristics

PSA：

162

XLogP3：

0.15390

Density：

1.671g/cm3

Melting Point：

223-225°C

Boiling Point：

726.6ºC at 760 mmHg

Flash Point：

260.4ºC

Refractive Index：

1.737

Storage Conditions：

Amber Vial, -20°C Freezer

Vapor Pressure：

3.7E-22mmHg at 25°C

Safety Information

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4'-deoxydoxorubicin 7-deoxyaglycone

ADRIAMYCINONE Use and Manufacturing

A metabolite of Doxorubicin (Dx).

Computed Properties

Molecular Weight:414.4
XLogP3:1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:414.09508215
Monoisotopic Mass:414.09508215
Topological Polar Surface Area:162
Heavy Atom Count:30
Complexity:738
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ADRIAMYCINONE

CAS No.: 24385-10-2

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