硫酸奎宁

硫酸奎宁 基本信息
CAS号 804-63-7 分子式 C20H26N2O6S
分子量 422.49500 精确质量  422.15100
PSA  128.57000 LogP  3.53910

等价的CAS号:

50-54-4,549-56-4,747-45-5,804-63-7,3106-14-7,7778-93-0,20317-85-5,62389-49-5,62409-09-0,85135-87-1

基本信息 展开↓

CAS号:
804-63-7
3D弹球模型:
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分子式:
C20H26N2O6S
分子量:
422.49500
中文名称:
硫酸奎宁
英文名称:
quinine sulfate
中文别名:
硫酸奎宁;
Nitrovin;
N''-{(2E)-3-(5-nitrofuran-2-yl)-1-[(E)-2-(5-nitrofuran-2-yl)ethenyl]prop-2-en-1-ylidene}carbonohydrazonic diamide;
1-[[4-(5-nitro-2-furyl)-1-[(5-nitro-2-furyl)methyl]but-3-enylidene]amino]guanidine;
Difurazone;
1-(3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylideneamino)guanidine hydrochloride;
17-beta-hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one;
17-ethynyl-18-methyl-19-nortestosteron;
17-ethynyl-18-methyl-19-nortestosterone;
18-methyl-17-alpha-ethynyl-19-nortestosterone;
(14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name);
D(minus)-norgestrel;
Antoxidant 6ppd;
Antioxidant 6PPD (4020);
Antioxidant 6PPD;
N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine;
diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate;
O,O-Dimethyl hydrogen dithiophosphate;
O,O-dimethyl hydrogen phosphorodithioate;
copper(2+) bis(O,O-dimethyl phosphorodithioate);
Dimethylphosphorodithioate;
O,O-Dimethyl Dithiophosphate;
h-MG;
Sulfide, 2-ch
英文别名:
quinine sulfate;
chinidinesulfate;
QUININE SULFATE
精确分子量/精确质量:
422.15100
极性分子表面积/PSA:
128.57000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
212-359-2
InChI:
InChI=1/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1

物化性质展开↓

沸点:
911.6ºC at 760 mmHg
闪点:
505.1ºC

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA8440000
CHEMICAL NAME :
Quinine, sulfate
CAS REGISTRY NUMBER :
804-63-7
LAST UPDATED :
199701
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C20-H24-N2-O2.1/2H2-O4-S
MOLECULAR WEIGHT :
420.52
WISWESSER LINE NOTATION :
T66 BNJ HO1 EYQ- DT66 A B CNTJ A1U1 &WSQQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
45455 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - visual field changes Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Kidney, Ureter, Bladder - renal function tests depressed
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
6500 ug/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Kidney, Ureter, Bladder - interstitial nephritis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Ear) - change in acuity Behavioral - changes in motor activity (specific assay)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
129 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
27 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - visual field changes Sense Organs and Special Senses (Ear) - tinnitus Gastrointestinal - nausea or vomiting
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
12 mg/kg/1D-I
TOXIC EFFECTS :
Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - acute pulmonary edema Blood - changes in spleen
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
4300 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Blood - agranulocytosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - visual field changes Sense Organs and Special Senses (Ear) - change in acuity Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
126 mg/kg/3W-I
TOXIC EFFECTS :
Cardiac - cardiomyopathy including infarction Skin and Appendages - dermatitis, allergic (after systemic exposure)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1425 mg/kg
SEX/DURATION :
female 14 day(s) pre-mating - 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - physical

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
100 ug/plate
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,2819,1983 *** REVIEWS *** TOXICOLOGY REVIEW PHJOAV Pharmaceutical Journal. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London, SE1 7JN, UK) V.131- 1933- Volume(issue)/page/year: 213,159,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80205 No. of Facilities: 92 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 460 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80205 No. of Facilities: 82 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1305 (estimated) No. of Female Employees: 678 (estimated)
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