叔丁啡

叔丁啡 基本信息
CAS号 52485-79-7 分子式 C29H42ClNO4
分子量 504.10100 精确质量 　503.28000
PSA 　62.16000 LogP 　5.15370

等价的CAS号：

52485-79-7,98225-33-3,136232-81-0,136232-82-1
充值推广 查看更多供应商
目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
52485-79-7
3D弹球模型：
立即前往扯扯看
分子式：
C29H42ClNO4
分子量：
504.10100
中文名称：
叔丁啡
英文名称：
buprenorphine
中文别名：
叔丁啡;
布诺啡
英文别名：
buprenorphine;
Buprenorphinum;
Buprenophine;
Temgesic;
Subutex;
Butrans;
Buprenorfina;
Probuphine
精确分子量/精确质量：
503.28000
极性分子表面积/PSA：
62.16000
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: RMRJXGBAOAMLHD-BFPQPRAASA-N

物化性质展开↓

密度：
1.26g/cm3
熔点：
260-262ºC
折射率：
1.632

合成路线查看所有的合成路线

  • 7051-34-5

    溴甲基环丙烷

  • +

  • 78715-23-8

    NORBUPRENORPHINE

  • →

    ~85%

  • 52485-79-7

    叔丁啡

  • 1352741-88-8

    [5α,7α(S)]-17-(cyclopropylcarbony)-α-(1,1-dimethylethyl)-4,5-epoxy-3-[(ethoxycarbonyl)oxy]-18,19-dihydro-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol

  • →

    ~79%

  • 52485-79-7

    叔丁啡

  • 16524-65-5

    6,14-Ethenomorphinan-7-methanol,17-(cyclopropylmethyl)-a-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-a-methyl-, (aS,5a,7a)-

  • →

    ~78%

  • 52485-79-7

    叔丁啡

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KM7757000
CHEMICAL NAME :
6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5- epoxy- 18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-, (5-alpha,7-alpha-(S))-
CAS REGISTRY NUMBER :
52485-79-7
LAST UPDATED :
198910
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C29-H41-N-O4
MOLECULAR WEIGHT :
467.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
17 ug/kg/18H-I
TOXIC EFFECTS :
Endocrine - antidiuresis
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 286,763,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
197 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 17,81,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
31 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 17,81,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 17,81,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 17,81,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 17,81,1979

上下游相关产品

上游产品

更多

  • 507-20-0

    氯代叔丁烷

  • 1252784-85-2

    7α-acetyl-17-(cyclopropylmethyl)-3-[(ethoxycarbonyl)oxy]-6,14-endo(ethano)tetrahydronororipavine

  • 7051-34-5

    溴甲基环丙烷

  • 78715-23-8

    NORBUPRENORPHINE

  • 16524-65-5

    6,14-Ethenomorphinan-7-methanol,17-(cyclopropylmethyl)-a-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-a-methyl-, (aS,5a,7a)-

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP