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(+)-Daunomycinone

(+)-Daunomycinone structure

CAS No:
21794-55-8
Formula:
C21H18O8
Chemical Name:
(+)-Daunomycinone
Synonyms:
5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-,(8S,10S)-;Daunomycinone;5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-,(8S-cis)-;(8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione;Daunorubicin aglycone;Leukaemomycinone C;Daunomycin aglicone;(+)-Daunomycinone;Daunomycinon;Daunorubicinone;NSC 109351;1604798-98-2
Categories:
Analytical Chemistry > Standard

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Description

Red Solid

(+)-Daunomycinone Basic Attributes

Molecular Weight：

398.36

Exact Mass：

398.36

UNII：

FN5680X78X

HScode：

2914500000

Characteristics

PSA：

141

XLogP3：

2.93

Density：

1.6±0.1 g/cm3

Melting Point：

213-214 °C @ Solvent: Acetone, Diethyl ether

Boiling Point：

677.4±55.0 °C at 760 mmHg

Flash Point：

243.4±25.0 °C

Refractive Index：

1.713

Storage Conditions：

-20°C Freezer

Vapor Pressure：

2.83E-19mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P272, P280, P281, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, 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, P272, P280, P281, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

daunomycinone

(+)-Daunomycinone Use and Manufacturing

The main metabolite of Daunorubicin (DNR).

Computed Properties

Molecular Weight:398.4
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:398.10016753
Monoisotopic Mass:398.10016753
Topological Polar Surface Area:141
Heavy Atom Count:29
Complexity:722
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes