5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, hydrate (1:1),(6R,7R)-
- 中文别名：头孢克洛
- 中文释义：头孢克洛;[6R-[6Α,7Β(R^^)]]-7-[(氨基苯基乙酰基)氨基]-3-氯-8-氧代-5-硫杂-1-氮杂二环[4.2.01-2-辛烯-2-羧酸单水合物;头孢氯氨苄(一水物);8-(2-氨基-2-苯基乙酰基)氨基-4-氯-7-氧代-2-硫杂-6-氮杂双环[4.2.0]辛-4-烯-5-羧酸一水物
- 英文别名：5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, hydrate (1:1), (6R,7R)-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, monohydrate, [6R-[6α,7β(R*)]]-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, monohydrate, (6R,7R)- (9CI);
Cefaclor monohydrate;
Cephaclor monohydrate;
Keflor
- CAS No.：70356-03-5
- 分子式：
C15H14ClN3O4S.H2O
- 分子量：385.82
- 精确分子量：385.04992
- PSA：147.26000
- InChI：The Key: QYIYFLOTGYLRGG-GPCCPHFNSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 白色晶体粉末
- 熔点：
- >180ºC (dec.)
- 沸点：
- 713.4ºC at 760 mmHg
- 闪点：
- 385.2ºC
- 存储条件/存储方法：
- 库房低温通风干燥
- 其它信息：
1.性状：白色或类白色结晶性粉末。
2.溶解性：溶于水，几不溶于甲醇、氯仿或苯。
安全信息
- 外观与性状：
- 白色晶体粉末
- 熔点：
- >180ºC (dec.)
- 沸点：
- 713.4ºC at 760 mmHg
- 闪点：
- 385.2ºC
- 存储条件/存储方法：
- 库房低温通风干燥
- 其它信息：
1.性状：白色或类白色结晶性粉末。
2.溶解性：溶于水，几不溶于甲醇、氯仿或苯。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XI0365000
- CHEMICAL NAME :
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3- chloro-8-oxo-, monohydrate, (6R-(6-alpha,7-beta(R*)))-
- CAS REGISTRY NUMBER :
- 70356-03-5
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C15-H14-Cl-N3-O4-S.H2-O
- MOLECULAR WEIGHT :
- 385.85
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1259 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4838 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1227 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- PMESAJ Postgraduate Medical Journal, Supplement. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1949- Volume(issue)/page/year: 55(Suppl 4),17,1979
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- PMESAJ Postgraduate Medical Journal, Supplement. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1949- Volume(issue)/page/year: 55(Suppl 4),17,1979
- 毒理学数据：
腹腔-大鼠 LD50: 1259 毫克/公斤; 腹腔小鼠 LD50: 400 毫克/公斤
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：89.61
2、 摩尔体积（cm3/mol）：226.4
3、 等张比容（90.2K）：687.4
4、 表面张力（dyne/cm）：84.9
5、 极化率（10-24cm3）：35.52
