(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide (CED0097329)

Record Information

Version

1.0

Creation Date

2026-08-21 18:33:47 UTC

Update Date

2026-08-21 18:33:47 UTC

Accession Number

CHEM203308

Identification

Common Name

(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide

Class

Small Molecule

Description

(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the chemical formula C21H21ClN2O8 and an average molecular weight of 464.90 g/mol. It has been found in or released from three recorded sources, specifically electrical and electronic equipment including antennas, video games, and X ray tubes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₁ClN₂O₈

Average Molecular Mass

464.900 g/mol

Monoisotopic Mass

464.099 g/mol

CAS Registry Number

127-33-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1

InChI Key

GUXHBMASAHGULD-SEYHBJAFSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
252.0	Log mg/kg	[140:450]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Multidrug transporter MdfA	P0AEY8	Escherichia coli K-12	Predicted (SEA)	0.622794
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	2380.01
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	4393.42
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	2286.67
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	1493.77
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7617.08
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	7556.67
Click to view 3D structure	L-lactate dehydrogenase A chain	P00338	Humans	Predicted (SEA)	547.669
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	5071.72
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	1108.81
Click to view 3D structure	Nuclear receptor subfamily 0 group B member 2	Q15466	Humans	Predicted (SEA)	109.923
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	4349.98
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7496.8
Click to view 3D structure	La-related protein 7	Q4G0J3	Humans	Predicted (SEA)	242.189
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	6419.91
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	5127.15
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	5264.87
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7549.97
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	7326.55
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	229.733
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7660.6
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	4587.42
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	7436.94
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	7453.44
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	7479.83