硫酸可待因

硫酸可待因 基本信息
CAS号 1420-53-7 分子式 C18H23NO7S
分子量 397.44300 精确质量  397.12000
PSA  124.91000 LogP  1.86700

基本信息 展开↓

CAS号:
1420-53-7
3D弹球模型:
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分子式:
C18H23NO7S
分子量:
397.44300
中文名称:
硫酸可待因
英文名称:
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid
中文别名:
硫酸可待因
英文别名:
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid;
UNII-AVW5HY4N2E;
Codeine sulfate anhydrous;
EINECS 215-818-5;
codeine sulfate;
Codeine sulphate
精确分子量/精确质量:
397.12000
极性分子表面积/PSA:
124.91000
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。
InChI:
The Key: REJWPZYIFAQSIK-FFHNEAJVSA-N

物化性质展开↓

沸点:
462ºC at 760mmHg
闪点:
233.2ºC
蒸汽压:
2.47E-09mmHg at 25°C

安全信息展开↓

危险类别码:
22
危险标志:
Xn: Harmful;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD1400000
CAS REGISTRY NUMBER :
1420-53-7
LAST UPDATED :
199504
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C36-H42-N2-O6.O4-S
MOLECULAR WEIGHT :
694.86
WISWESSER LINE NOTATION :
T B6566 B6/CO 4ABBC R BX HO PN DU GHT&&TTJ FQ JO1 P & 2WSQQ

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 :
430 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
107 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Behavioral - rigidity (including catalepsy)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
332 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
395 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
143 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
183 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
68 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 :
Subcutaneous
DOSE :
100 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - sex ratio

MUTATION DATA

TEST SYSTEM :
Fish - not otherwise specified
DOSE/DURATION :
100 mg/L
REFERENCE :
BEXBBO Biochemistry and Experimental Biology. (Padua, Italy) V.10-16, 1971/72-80. Suspended. Volume(issue)/page/year: 16,425,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81365 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 429 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81365 No. of Facilities: 86 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 5578 (estimated) No. of Female Employees: 4863 (estimated)
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