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- 4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸
4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸
4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸 基本信息
- 中文名称:
- 4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸
- 中文别名:
- 4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸;
calcium,N-cyclohexylsulfamate,dihydrate
- 英文名称:
- Sulfamic acid,N-cyclohexyl-, calcium salt, hydrate (2:1:2)
- 英文别名:
- calcium,N-cyclohexylsulfamate,dihydrate;
Calcium cyclohexylsulfamate dihydrate (1:2);
CALCIUM CYCLAMATE DIHYDRATE;
Calcium cyclohexylsulfamate dihydrate;
Cyclohexanesulfamic acid,calcium salt (2:1),dihydrate;
Sulfamic acid,cyclohexyl-,calcium salt (2:1),dihydrate;
Calcium cyclohexanesulfamate dihydrate;
Calcium cyclohexanesulfamate dihydrate (1:2);
Cyclohexanesulfamic acid,calcium salt,dihydrate;
Cyclamate calcium dihydrate
- CAS No.:
- 5897-16-5
- 分 子 式:
- C6H13NO3S.1/2Ca.H2O
- 分 子 量:
- 432.62
- 精确分子量:
- 432.09100
- PSA:
- 173.68000
- 危险品标志:
- Low toxicity by ingestion.
- 安全术语:
- A poison by subcutaneous and intravenous routes. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
- 分子结构式:
-

- SDS:
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4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GV7175000
- CHEMICAL NAME :
- Cyclohexanesulfamic acid, calcium salt, dihydrate
- CAS REGISTRY NUMBER :
- 5897-16-5
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H24-N2-O6-S2.Ca.2H2-O
- MOLECULAR WEIGHT :
- 432.62
- WISWESSER LINE NOTATION :
- L6TJ AMSWO 2 &-CA- &QH 2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57,
1948-77. Discontinued. Volume(issue)/page/year: 44A,82,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57,
1948-77. Discontinued. Volume(issue)/page/year: 44A,82,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 570 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57,
1948-77. Discontinued. Volume(issue)/page/year: 44A,82,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57,
1948-77. Discontinued. Volume(issue)/page/year: 44A,82,1967
4-[(2S)-2-氨基-4-(甲基硫烷基)丁酰]-L-α-谷氨酰-3-(4H-咪唑-4-基)-L-丙氨酰-L-苯丙氨酸 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:4
3.氢键受体数量:10
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:157
7.重原子数量:25
8.表面电荷:0
9.复杂度:187
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:5