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Azapentacene

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Name

Azapentacene

EINECS N/A
CAS No. 3863-80-7 Density N/A
PSA 188.52000 LogP 4.27760
Solubility N/A Melting Point N/A
Formula C18H10N4Na2O6S2 Boiling Point N/A
Molecular Weight 488.40 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3863-80-7 (Azapentacene) Hazard Symbols N/A
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;

 

Azapentacene 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.

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