CAS 52-01-7 MFCD00082250-Spironolactone 螺内酯 TAO{mole}

Spironolactone 螺内酯

CAS 52-01-7 MFCD00082250

化学结构图

SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12

化学属性

Mol. Formula	C24H32O4S
Mol. Weight	416.62
Density	1.422
Melting Point	207-208
Solubility	难溶
Refractive index	-36 ° (C=1, CHCl3)
Boiling Point

别名和识别编码

Chemical Name	Spironolactone
CAS Number	52-01-7
Synonym	,(7alpha,17alpha)- 3-(3-Oxo-7α-acetylthio-17β-hydroxy-4-androsten-17α-yl)propionic acid-γ-lactone 7-α-acetylthio-3-oxopregn-4-ene-17-α,17-β-propionolactone SC 9420 17-hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylicacigamm spironolactone (INN) Verospiron Verospirone Spironolactone 3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, γ-lactone, (7α,17α)- 4-Pregnen-21-oic acid-17&# Spiresis VEROSPIRON 7ALPHA-[ACETYLTHIO]-17ALPHA-HYDROXY-3-OXOPREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE 17-hydroxy-7-alpha-mercapto-3-oxo-17-alpha-pregn-4-ene-21-carboxylicaciga Acelat 3’-(3-oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17- 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy- Spiro[17H-c 17-Hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylic acid gamma-lactone acetate Dira Melarcon Spiridon (7α,17α)-7-(乙酰巯基)-17-羟基-3-氧代孕甾-4-烯-21-羧酸γ-内酯 4,17ALPHA-PREGNEN-21-CARBOXYLIC ACID-17BETA-OL-3-ONE-7ALPHA-THIOL 21-17 GAMMA LACTONE 7-ACETATE Spiroctan 3-(3-keto-7-a Spiro-nolactone (7?,7?)-7-(Acetylthyo)-17-hydroxy-3-oxopregn-4-one-21-carboxylic Acid ?-Lactone Uractone 4-Pregnen-21-oic acid-17α-ol-3-one-7α-thiol γ-lactone 7-acetate 7α-(Acetylthio)-17α-hydroxy-3-oxopregn-4-ene-21-carboxylic acid γ-lactone 7α-(Acetylthio)-17-hydroxy-3-oxo-17α-pregn-4-ene-21-carboxylic acid γ-lactone Spirolang {} {} {} {} {}
EC Number	200-133-6
Beilstein Registry Number	0057767
MDL Number	MFCD00082250
PubChem Substance ID	5833
Chemical Name Translation	螺内酯
Merck Number	8760
Wiswesser Line Notation	L E5 B666 FX OV MUTJ A1 E1 KSV1 F-& CT5VOXTJ
LabNetwork Molecule ID	LN00239227
InChI	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1

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安全信息

Signal word Danger

GHS Symbol

WGK Germany3

Safety Statements

S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S22 Do not breathe dust 不要吸入粉尘；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Risk Statements

R60 May impair fertility 可能降低生殖能力
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P308+P313
P308 IF exposed or concerned: 如果接触或涉及

Hazard statements

H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害

Hazard Codes T T,Xn,Xi T;Xn

Personal Protective Equipment Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

RTECSTU4725000

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 122 mg/kg/61D-I
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
REFERENCE :
   NZMJAX New Zealand Medical Journal.  (New Zealand Medical Assoc., P.O. Box
   156, Wellington, New Zealand)  V.1-    1900-  Volume(issue)/page/year:
   83,147,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 260 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,381,1982

{hazard_com

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 5600 mg/kg
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - urine volume increased
   Nutritional and Gross Metabolic - changes in sodium
   Nutritional and Gross Metabolic - changes in calcium
REFERENCE :
   JLCMAK Journal of Laboratory and Clinical Medicine.  (C.V. Mosby Co., 11830
   Westline Industrial Dr., St. Louis, MO 63141)  V.1-    1915-
   Volume(issue)/page/year: 80,224,19

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 1(5),641,1978

TYPE OF

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - woman
DOSE                    : 280 mg/kg
SEX/DURATION            : female 35 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
   Reproductive - Maternal Effects - breasts, lactation (prior to or during
   pregnancy)
REFERENCE :
   AIMEAS Annals of Internal Medicine.  (American College of Physicians, 4200
   Pine St., Philadelphia, PA 19104)  V.1-    1927-  Volume(issue)/page/year:
   69,685,1968

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE                    : 1208 mg/kg
SEX/DURATION            : male 47 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - impotence
   Reproductive - Paternal Effects - breast development
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   2,729,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 360 mg/kg
SEX/DURATION            : female 13-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   ACENA7 Acta Endocrinologica (Copenhagen).  (Periodica, Skolegade 12 E,
   DK-2500 Valby, Denmark) V.1-    1948-  Volume(issue)/page/year: 95,540,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 160 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :

UN Number

Packing Group

其他信息

螺内酯价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 207460010 螺内酯 Spironolactone 99% 1 GR 666元 2010/06/21 207460050 螺内酯 Spironolactone 99% 5 GR 2629元
毒害物质数据:52-01-7(Hazardous Substances Data)
毒性分级:高毒
TCI Shanghai:螺内酯 Spironolactone,>;95.0%(E)(52-01-7)
EPA Substance Registry System:52-01-7(EPA Substance)
MOL 文件:52-01-7.mol
利尿药:螺内酯是一种弱的保钾利尿药，又名安体舒通、螺旋内酯，为白色或类白色细微结晶性粉末，微有苦味，无臭或有轻微硫醇臭。在氯仿中极易溶解，不溶于水，溶于乙醇，易溶于苯或醋酸乙酯。化学结构与醛固酮相似，可与醛固酮竞争远曲小管及集合管细胞浆内的醛固酮受体，影响醛固酮和受体结合，从而阻碍醛固酮诱导蛋白的合成，进而抑制K+-Na+交换，钾的排出减少，起到保钾利尿作用。螺内酯的利尿作用强度与体内醛固酮分泌多少有关，分泌多则作用强，分泌少则作用弱，无醛固酮分泌的病人服用无利尿作用。由于本药仅作用于远曲小管和集合管，对肾小管其他各段无作用，故该药利尿作用弱，起效慢，维持时间长，主要用于伴有醛固酮增多的顽固性水肿，如肝硬化腹水、充血性心力衰竭、肾病综合征等，对充血性心力衰竭因缺钠而引起继发性醛固酮增多患者疗效较好，单用本品时利尿作用往往较差，常与氢氯噻嗪或双氢克尿噻合用可增强疗效。此外用于原发性醛固酮增多症、原发性高血压的治疗。高钾血症及肾功能衰竭的患者禁用。本品口服迅速吸收而不规则，其吸收速率与螺内酯的颗粒大小有关。一般制法，生物利用度仅为5%，如制成微粒其吸收率可达 90%，达峰血药浓度约为3小时。在体内代谢迅速，主要代谢物烯睾丙内酯 (孕烯内酯，Canrenone) 能发挥药理活性，其他代谢物逐渐转化为烯睾丙内酯。一次口服后2～4小时血清中代谢物达峰值。代谢物的浓度在 12小时内浓度迅速下降，在12～96小时缓慢下降。口服多次剂量后烯睾丙内酯代谢物的半衰期为13～24小时。螺内酯的半衰期仅约10分钟。烯睾丙内酯的血浆蛋白结合率为98%。其代谢物经胆汁和尿液排泄。烯睾丙内酯代谢有肠肝循环。本品可透过胎盘屏障并进入乳汁。还有抑制雌激素和雄激素合成的作用。
图谱信息:螺内酯(52-01-7)红外图谱(IR1) 螺内酯(52-01-7)红外图谱(IR2)
用途一:利尿药。
可燃性危险特性:易燃; 燃烧产生有毒硫氧化物烟雾
储运特性:库房通风低温干燥; 与食品原料分开存放
灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
急性毒性:腹腔-大鼠 LD50: 277 毫克/公斤; 口腹腔-小鼠 LD50: 260 毫克/公斤
比旋光度:-37 ° (c=1, CHCl3)
适应证:螺内酯为醛固酮的竞争性抑制药，药物本身并没有活性，利尿作用是与内源性醛固酮竞争性拮抗而发生，属于保钾利尿剂。 ①水肿性疾病，与其他利尿药合用，治疗充血性心力衰竭、肝硬化腹水、肾性水肿等水肿性疾病，其目的在于纠正上述疾病伴发的继发性醛固酮分泌增多，并对抗其他利尿药的排钾作用;也用于特发性水肿的治疗。 ②高血压，作为高血压的辅助治疗药物。 ③原发性醛固酮增多症，螺内酯可用于此病的诊断和治疗。 ④低钾血症的预防，与噻嗪类利尿药合用，增强利尿效应和预防低钾血症。
上游原料:皂素 --> 雄烯二酮
类别:有毒物品