This chemical is called Thiamphenicol glycinate hydrochloride, and its systematic name is (2S,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride. With the molecular formula of C14H19Cl3N2O6S, its molecular weight is 449.74. The CAS registry number of this chemical is 2611-61-2. Additionally, its classification codes are Drug / Therapeutic Agent; Reproductive Effect.
Other characteristics of the Thiamphenicol glycinate hydrochloride can be summarised as followings: (1)ACD/LogP: -0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.22; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 101.6 Å2 ; (13)Flash Point: 360.5 °C; (14)Enthalpy of Vaporization: 103.78 kJ/mol; (15)Boiling Point: 672.5 °C at 760 mmHg; (16)Vapour Pressure: 5.26E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.ClC(Cl)C(=O)N[C@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)COC(=O)CN
2.InChI: InChI=1/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12+;/m0./s1
3.InChIKey: DKXJDBJNAXSJDH-XOZOLZJEBA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1543mg/kg (1543mg/kg) | Proceedings of the European Society for the Study of Drug Toxicity. Vol. 11, Pg. 113, 1970. | |
mouse | LD50 | subcutaneous | 4190mg/kg (4190mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. | |
rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969. |
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