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Peroxisomicine a2

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Name

Peroxisomicine a2

EINECS N/A
CAS No. 156768-16-0 Density 1.539g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C30H26 O8 Boiling Point 826.1°Cat760mmHg
Molecular Weight 514.56 Flash Point 467.3°C
Transport Information N/A Appearance N/A
Safety A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 156768-16-0 ([2,9'-Bianthracene]-4',8(1'H,5H)-dione,2',3',6,7-tetrahydro-1,2',5',6,9,10'-hexahydroxy-2',6-dimethyl-, (2S,2'S,6R)-(9CI)) Hazard Symbols A poison by ingestion.
Synonyms

Diast T514; Peroxisomicin A2; Peroxisomicine A2; T 514'

 

Peroxisomicine a2 Chemical Properties

Product Name: Peroxisomicine a2
CAS Registry Number: 156768-16-0
Synonyms: Diast T-514 ; Peroxisomicin A2 ; Peroxisomicine A2 ; T 514' ; (2,9'-Bianthracene-4',8(1'H,5H)-dione, 2',3',6,7-tetrahydro-2',6-dimethyl-1,2',5',6,9,10'-hexahydroxy-
IUPAC Name: (3R)-3,8,9-trihydroxy-3-methyl-10-[(6S)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one 
Molecular Weight: 514.52264 [g/mol]
Molecular Formula: C30H26O8
XLogP3-AA: 4.4
H-Bond Donor: 6
H-Bond Acceptor: 8
Surface Tension: 86.7 dyne/cm
Density: 1.539 g/cm3
Flash Point: 467.3 °C
Enthalpy of Vaporization: 125.85 kJ/mol
Boiling Point: 826.1 °C at 760 mmHg
Vapour Pressure: 6.67E-29 mmHg at 25°C
Following is the molecular structure of Peroxisomicine a2 (CAS NO.156768-16-0) is:

Peroxisomicine a2 Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 31600ug/kg (31.6mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: CHANGES PRIMARILY IN GLOMERULI
Toxicology Letters. Vol. 90, Pg. 155, 1997.
mouse LD50 oral 61500ug/kg (61.5mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

KIDNEY, URETER, AND BLADDER: CHANGES PRIMARILY IN GLOMERULI
Toxicology Letters. Vol. 90, Pg. 155, 1997.

Peroxisomicine a2 Safety Profile

A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.

Peroxisomicine a2 Specification

Descriptors computed from structure, you can know some information about Peroxisomicine a2 (CAS NO.156768-16-0) :
Canonical SMILES: CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O
Isomeric SMILES: C[C@@]1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5C[C@@](CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O
InChI: InChI=1S/C30H26O8/c1-29(37)9-14-8-13-6-7-16(26(34)22(13)27(35)21(14)19(32)11-29)23-15-4-3-5-18(31)24(15)28(36)25-17(23)10-30(2,38)12-20(25)33/h3-8,31,34-38H,9-12H2,1-2H3/t29-,30+/m0/s1
InChIKey: FBPZAGOTWAVQJH-XZWHSSHBSA-N

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