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琥珀氨苯砜 基本信息
- 中文名称:
- 琥珀氨苯砜
- 中文别名:
- 琥珀氨苯砜;
4-[[4-[(4-氨基苯基)磺酰基]苯基]氨基]-4-氧丁酸
- 英文名称:
- Butanoic acid,4-[[4-[(4-aminophenyl)sulfonyl]phenyl]amino]-4-oxo-
- 英文别名:
- 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoic acid;
Succisulfone;
Succisulfona;
Succinylsulfone;
Succisulfon;
4-({4-[(4-aminophenyl)sulfonyl]phenyl}amino)-4-oxobutyric acid;
N-(4-Sulfanilyl-phenyl)-succinamidsaeure;
Succisulfonum;
Exosulfonyl;
F 1500;
EINECS 227-684-5;
Succinalic acid,4'-sulfanilyl;
N-(4-sulfanilyl-phenyl)-succinamic acid;
4'-Sulfanilylsuccinalic acid;
N-[4-(4-Amino-phenylsulfon)-phenyl]-succinamidsaeure
- CAS No.:
- 5934-14-5
- 分 子 式:
- C16H16N2O5S
- 分 子 量:
- 348.37364
- 精确分子量:
- 348.07800
- PSA:
- 134.94000
- EINECS:
- 227-684-5
- InChI:
- The Key: QAJQUUOBVOKLOD-UHFFFAOYSA-N
- 分子结构式:
-
- SDS:
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琥珀氨苯砜 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- WM3406500
- CHEMICAL NAME :
- Succinalic acid, 4'-sulfanilyl-
- CAS REGISTRY NUMBER :
- 5934-14-5
- BEILSTEIN REFERENCE NO. :
- 3458725
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H16-N2-O5-S
- MOLECULAR WEIGHT :
- 348.40
- WISWESSER LINE NOTATION :
- ZR DSWR DMV2VQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 6,251,1951
琥珀氨苯砜 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):0.6
2.氢键供体数量:3
3.氢键受体数量:6
4.可旋转化学键数量:6
5.互变异构体数量:3
6.拓扑分子极性表面积:135
7.重原子数量:24
8.表面电荷:0
9.复杂度:541
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:1