 Home > Encyclopedia > 2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide

2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide

2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide structure

CAS No:
103620-82-2
Formula:
C29H32N2O11
Chemical Name:
2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide
Synonyms:
103620-82-2;BRN 6049733;N-(Carbamoylmethyl)daunorubicin;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((2-amino-2-oxoethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-;DTXSID50908527;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2-hydroxy-2-iminoethyl)amino]hexopyranoside

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2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide Basic Attributes

Molecular Weight：

584.6 g/mol

Exact Mass：

584.20060984 g/mol

Characteristics

PSA：

215 Å²

XLogP3：

1.2363

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	DNA inhibition			7500 nmol/L	--	Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,2074,1986
MUTATION DATA	Mutation test systems - not otherwise specified			1700 nmol/L	--	Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,2074,1986

Computed Properties

Molecular Weight:584.6
XLogP3:1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:584.20060984
Monoisotopic Mass:584.20060984
Topological Polar Surface Area:215
Heavy Atom Count:42
Complexity:1090
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetamide

Basic Attributes
Characteristics
Toxicity
Computed Properties

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