| Transport Condition | |
|---|---|
| Storage Temp. | 2-8°C |
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| Signal Word | |
|---|---|
| InchiKey | QYQDKDWGWDOFFU-IUODEOHRSA-N |
| Canonical Smiles | |
| Inchi | InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1 |
| Density | 1.80±0.1 g/cm3(Predicted) |
| Smiles | O=C(O)C1=C(CS[C@@]2([C@@H](C(=O)N12)NC(=O)CC1N=C(N)SC=1)[H])CSC1N(CCN(C)C)N=NN=1 |
| MDL No. | |
| Remark | 二盐酸头孢替安(Cefotiam Dihydrochloride)：C18H23N9O4S3?2HCl。[66309-69-1]。白色至淡黄色结晶。溶于甲醇，微溶于乙醇。盐酸头孢替安酯(Cefotiam Hexetil Hydroehlorie)：C27H37 N9O7S3?2HCl。[95789-30-3]。即其1-(环己基氧基羰基氧基)乙酯[1-(cyclogexy-loxycarbonyloxy)ethyl ester]。白色或淡黄色结晶或结晶性粉末，略有异臭。易溶于水(＞lmg/ml，Ph=4.5)或甲醇，微溶于乙醇，几不溶于氯仿、乙酸乙酯、丙酮或己烷。急性毒性LD50雄、雌小鼠，雄、雌大鼠(mg/kg)：1290，1150，1470，1620腹腔注射；全部＞2000皮下注射；全部＞5000口服。 |
| Water Solubility | Soluble |
| Exact Mass | 525.103511 |
| Chirality | |
| GHS | |
| HS Code | |
| Cas No. | 61622-34-2 |
| Chemical Name | Cefotiam |
| Synonyms | |
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| UN No. |
Cefotiam dihydrochloride (Cefotiam Dihydrochloride): C18H23N9O4S3?2HCl.[66309-69-1]. White to light yellow crystal. Soluble in methanol, slightly soluble in ethanol. Cefotiam Hexetil Hydroehlorie: C27H37 N9O7S3?2HCl.[95789-30-3]. That is, its 1-(cyclohexyloxycarbonyloxy)ethyl ester [1-(cyclogexy-loxycarbonyloxy)ethyl ester]. White or light yellow crystal or crystalline powder, slightly odor. Soluble in water (>lmg/ml, Ph=4.5) or methanol, slightly soluble in ethanol, insoluble in chloroform, ethyl acetate, acetone or hexane. Acute toxicity LD50 male and female mice, male and female rats (mg/kg): 1290, 1150, 1470, 1620 intraperitoneal injection; all >2000 subcutaneous injection; all >5000 oral.
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