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The C.I. 63010, with the CAS registry number 2861-02-1, is also known as 1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonicacid, disodium salt. It belongs to the product categories of Dyes and Pigments; Organics. Its EINECS number is 220-678-3. This chemical's molecular formula is C14H10N2O10S2·2Na and formula weight is 474.33. What's more, its IUPAC name is disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate. Its classification code is Drug/Therapeutic Agent. When using it, you should avoid contacting with skin and eyes.
Physical properties of C.I. 63010 are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 8; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 184.58 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(C(=C1S(=O)(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)N.[Na+].[Na+]
(2)InChI: InChI=1S/C14H10N2O10S2.2Na/c15-3-1-5(27(21, 22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
(3)InChIKey: WSALIDVQXCHFEG-UHFFFAOYSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2900mg/kg (2900mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988. | |
rat | LD | oral | > 10gm/kg (10000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 93, 1988. | |
rat | LD50 | intraperitoneal | 1300mg/kg (1300mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 93, 1988. |