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| CAS No.: | 156768-16-0 |
|---|---|
| Name: | [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) |
| Molecular Structure: | |
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| Formula: | C30H26 O8 |
| Molecular Weight: | 514.56 |
| Synonyms: | Diast T514; Peroxisomicin A2; Peroxisomicine A2; T 514' |
| Density: | 1.539g/cm3 |
| Boiling Point: | 826.1°Cat760mmHg |
| Flash Point: | 467.3°C |
| Hazard Symbols: | A poison by ingestion. |
| Safety: | A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors. |
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Chemistry
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:
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. |
Safety Profile
A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
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