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| CAS No.: | 3863-80-7 |
|---|---|
| Name: | Azapentacene |
| Molecular Structure: | |
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| Formula: | C18H10N4Na2O6S2 |
| Molecular Weight: | 488.40 |
| Synonyms: | Quinoxalino[2,3-b]phenazine-2,9-disulfonicacid, 5,12-dihydro-, disodium salt (9CI);Jing Ming;Phacolin;Quinax;Phacolysine;Sodium 5,12-dihydroazapentacene disulfonate; |
| PSA: | 188.52000 |
| LogP: | 4.27760 |
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Specification
The Azapentacene, with the CAS registry number 3863-80-7, is also known as Sodium 5,12-dihydroazapentacene disulfonate. It belongs to the product categories of Heterocyclic Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. This chemical's molecular formula is C18H10N4Na2O6S2 and molecular weight is 488.40. What's more, its systematic name is Disodium 5,12-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate. Its classification code is Drug / Therapeutic Agent. This chemical is ophthalmologic eye lotions containing polymers with side-chains of phosphorylcholine analogs. It is used in therapy of senile cataracts.
Physical properties of Azapentacene are: (1)#H bond acceptors: 10; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 179.94 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc2/N=C3/C=C4/Nc5ccc(cc5\N=C4\C=C3\Nc2cc1)S([O-])(=O)=O
(2)Std. InChI: InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19-20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2
(3)Std. InChIKey: XLNKBYYWZULHIR-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intravenous | 1190mg/kg (1190mg/kg) | Drugs in Japan Vol. 6, Pg. 328, 1982. | |
| rat | LD50 | oral | > 5300mg/kg (5300mg/kg) | Drugs in Japan Vol. 6, Pg. 328, 1982. | |
| rat | LD50 | subcutaneous | 1900mg/kg (1900mg/kg) | Drugs in Japan Vol. 6, Pg. 328, 1982. |