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9007-28-7

Basic Information
CAS No.: 9007-28-7
Name: Chondroitin sulfate
Article Data: 1
Molecular Structure:
Molecular Structure of 9007-28-7 (Chondroitin sulfate)
Formula: H2O4S.xUnspecified
Molecular Weight: 463.36854
Synonyms: Chondroitin polysulfate 30000;Chondroitin Sulfate (Bovine ,Shark) USP29;Chondroitin polysulfate 9000;Ch polysulfate 19000;Ch polysulfate;Chondroitin sulfate C EP5.0;Chonsurid;Chondroitin polysulfate 19000;Chondroitinsulfuric acids;Ch polysulfate 30000;Chondroitin sulphate, Glucosamine;chondroitin sulfate(bovine);Chondroitin Sulfate (Bovine ,Shark,porcine ,chicken) USP30;chondroitin sulfate bovine;Chondroitin sulfate;
EINECS: 232-696-9
Solubility: Soluble in water.
Appearance: white or light yellow amorphous powder
Safety: 24/25
PSA: 287.45000
LogP: -3.73080
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Toxicity Data With Reference

1.    

ivn-mus LD50:2340 mg/kg

    KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),506.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of SOx.

Specification

Chondroitin sulfate (CAS NO.9007-28-7) is also named as Chondroitin polysulfate; Chondroitin sulfates; Chondroitin sulfuric acid; Chondroitin sulphate; Chonsurid; UNII-6IC1M3OG5Z; Chondroitin, hydrogen sulfate. Chondroitin sulfate is white or light yellow amorphous powder. It is soluble in water, insoluble in organic solvents. It is usually found attached to proteins as part of a proteoglycan.  Chondroitin sulfate as a health food or health care drugs is long used for control of coronary heart disease, angina, myocardial infarction, coronary atherosclerosis, myocardial ischemia and other diseases.

Physical properties about Chondroitin sulfate are: (1)ACD/LogP: -4.279; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -9.34; (4)ACD/LogD (pH 7.4): -9.99; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 17; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 89.884 cm3; (14)Molar Volume: 236.121 cm3; (15)Polarizability: 35.633 10-24cm3; (16)Surface Tension: 136.501998901367 dyne/cm; (17)Density: 2.03 g/cm3

You can still convert the following datas into molecular structure:
(1)SMILES:O[C@@H]2OC(CO)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2NC(O)=O;
(2)Std. InChI:InChI=1S/C13H21NO16S/c15-1-2-7(30-31(24,25)26)8(3(11(21)27-2)14-13(22)23)28-12-6(18)4(16)5(17)9(29-12)10(19)20/h2-9,11-12,14-18,21H,1H2,(H,19,20)(H,22,23)(H,24,25,26)/t2?,3-,4+,5+,6-,7+,8-,9+,11-,12-/m1/s1;
(3)Std. InChIKey:SVZISYZJNFXEQQ-YLBYYDEWSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2340mg/kg (2340mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 506, 1972.