吡罗昔康 基本信息 | |||
---|---|---|---|
CAS号 | 36322-90-4 | 分子式 | C15H13N3O4S |
分子量 | 331.34600 | 精确质量 | 331.06300 |
PSA | 107.98000 | LogP | 2.67270 |
CHEMICAL IDENTIFICATION
RTECS NUMBER :DL0705000
CHEMICAL NAME :2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide
CAS REGISTRY NUMBER :36322-90-4
LAST UPDATED :199801
DATA ITEMS CITED :29
MOLECULAR FORMULA :C15-H13-N3-O4-S
MOLECULAR WEIGHT :331.37
WISWESSER LINE NOTATION :T66 BSWNJ C1 EQ DVM- BT6NJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - man
DOSE/DURATION :7636 mg/kg/6W-I
TOXIC EFFECTS :Kidney, Ureter, Bladder - interstitial nephritis
REFERENCE :AJNED9 American Journal of Nephrology. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 5,142,1985
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - child
DOSE/DURATION :7143 ug/kg
TOXIC EFFECTS :Behavioral - convulsions or effect on seizure threshold Blood - aplastic anemia Nutritional and Gross Metabolic - other changes
REFERENCE :SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 66,31,1984
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - man
DOSE/DURATION :52 mg/kg/26W-I
TOXIC EFFECTS :Nutritional and Gross Metabolic - metabolic acidosis
REFERENCE :AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 99,282,1983
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - woman
DOSE/DURATION :1200 ug/kg/3D-I
TOXIC EFFECTS :Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 11,554,1984
TYPE OF TEST :LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - man
DOSE/DURATION :3714 mg/kg/13D-I
TOXIC EFFECTS :Blood - agranulocytosis Skin and Appendages - dermatitis, allergic (after systemic exposure)
REFERENCE :NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 309,795,1983
TYPE OF TEST :LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - woman
DOSE/DURATION :2400 ug/kg
TOXIC EFFECTS :Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Liver - jaundice, other or unclassified Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 293,540,1986
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Human - woman
DOSE/DURATION :28 mg/kg
TOXIC EFFECTS :Behavioral - headache Gastrointestinal - ulceration or bleeding from duodenum Gastrointestinal - nausea or vomiting
REFERENCE :AMSVAZ Acta Medica Scandinavica. (Almqvist & Wiksell, POB 45150, S-10430 Stockholm, Sweden) V.52-224, 1919-88. Volume(issue)/page/year: 216,335,1984
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :216 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,1714,1978
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Administration onto the skin
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :>5 gm/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 37(11),-,1986
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Intraperitoneal
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :335 mg/kg
TOXIC EFFECTS :Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4639,1980
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Subcutaneous
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :148 mg/kg
TOXIC EFFECTS :Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4639,1980
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Rectal
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :400 mg/kg
TOXIC EFFECTS :Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,87,1981
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :250 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0079639
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Intraperitoneal
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :290 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 49,98,1986
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Subcutaneous
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :300 mg/kg
TOXIC EFFECTS :Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4639,1980
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Mammal - dog
DOSE/DURATION :108 mg/kg
TOXIC EFFECTS :Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4639,1980
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Primate - monkey
DOSE/DURATION :1 gm/kg
TOXIC EFFECTS :Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4639,1980
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - guinea pig
DOSE/DURATION :388 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978- Volume(issue)/page/year: 7,365,1984
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - hamster
DOSE/DURATION :170 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978- Volume(issue)/page/year: 7,365,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :600 mg/kg/30D-I
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from small intestine Blood - normocytic anemia
REFERENCE :YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 35(1),-,1984
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1825 mg/kg/1Y-I
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from stomach Kidney, Ureter, Bladder - other changes Blood - normocytic anemia
REFERENCE :YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 35(1),-,1984 ** REPRODUCTIVE DATA **
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :35 mg/kg
SEX/DURATION :female 15-21 day(s) after conception
TOXIC EFFECTS :Reproductive - Maternal Effects - parturition
REFERENCE :TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 30,59,1984
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :110 mg/kg
SEX/DURATION :female 7-17 day(s) after conception
TOXIC EFFECTS :Reproductive - Maternal Effects - parturition Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :110 mg/kg
SEX/DURATION :female 7-17 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :110 mg/kg
SEX/DURATION :female 7-17 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :55 mg/kg
SEX/DURATION :female 7-17 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :34 mg/kg
SEX/DURATION :female 1-17 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
REFERENCE :TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 30,59,1984
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :260 mg/kg
SEX/DURATION :female 6-18 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
DOSE :910 mg/kg
SEX/DURATION :female 6-18 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4655,1980
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:2
3.氢键受体数量:6
4.可旋转化学键数量:2
5.互变异构体数量:8
6.拓扑分子极性表面积108
7.重原子数量:23
8.表面电荷:0
9.复杂度:611
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
安全信息
包装等级:III
风险类别:6.1(b)
海关代码:3005101000
危险类别码:R22
安全说明:S26-S36
RTECS号:DL0705000
危险标志:Xn:Harmful
海关信息
504-29-0
2-氨基吡啶
80201-73-6
2-methoxyethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
15448-99-4
N-甲基糖精
5221-37-4
2-氯-N-吡啶-2-基乙酰胺
35511-15-0
甲基物
99464-64-9
安吡昔康
90101-16-9
屈昔康
15448-99-4
N-甲基糖精
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