Nafoxidine Hydrochloride 1-(2-(4-(6-甲氧基-2-苯基-3,4-二氢萘-1-基)苯氧基)乙基)吡咯烷盐酸盐

CAS 1847-63-8 MFCD00056572

化学结构图

1847-63-8
SMILES: COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1.Cl

化学属性

Mol. FormulaC29 H31 N O2 . Cl H
Mol. Weight462.02
Melting Point165-168 °C

别名和识别编码

Chemical NameNafoxidine hydrochloride
Synonym Hydrochloride, Nafoxidine Nafoxidine Nafoxidine (hydrochloride) Nafoxidine Hydrochloride {PubChem} U11,100A U11000A {} {PubChem} U-11000A {} {} {PubChem} U-11,100A {} {} {} {PubChem} U 11000A {} {} {} {} {PubChem} U 11,100A {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00056572
CAS Number1847-63-8
Chemical Name Translation1-(2-(4-(6-甲氧基-2-苯基-3,4-二氢萘-1-基)苯氧基)乙基)吡咯烷盐酸盐
InChIKeyHJOOGTROABIIIU-UHFFFAOYSA-N
Wiswesser Line NotationL66 BUT&J CR& HO1 BR DO2- AT5NTJ &GH
PubChem Substance ID15805
LabNetwork Molecule IDLN01301106
Canonical SMILES[H]Cl.COC1=CC2=C(C=C1)C(C3=CC=C(C=C3)OCCN4CCCC4)=C(C5=CC=CC=C5)CC2
InChIInChI=1S/C29H31NO2.ClH/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30;/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3;1H
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分类

  • Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Hormones, N, Other Steroid Products, Pfizer Compounds, Steroid Hormones
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones,
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Hormones, N, Other Steroid Products, Pfizer Compounds, Steroid Hormones, 细胞

相关文献及参考

  • Rich RL, Hoth LR, Geoghegan KF, Brown TA, LeMotte PK, Simons SP, Hensley P, Myszka DG, Kinetic analysis of estrogen receptor/ligand interactions. Proc. Natl. Acad. Sci. U. S. A. 99 , 8562-8567, (2002) 摘要
  • Maertens C, Droogmans G, Chakraborty P, Nilius B., Inhibition of volume-regulated anion channels in cultured endothelial cells by the anti-oestrogens clomiphene and nafoxidine. Br. J. Pharmacol. 132 , 135-142, (2001) 摘要

安全信息

GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P352
  • P305+P351+P338
  • P305+P354+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P317
  • P318
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P333+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H351 Suspected of causing cancer 怀疑致癌
  • 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
WGK Germany3
RTECSUY0880000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S22 Do not breathe dust 不要吸入粉尘;
Hazard Codes Xn
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition +4°C 4℃ room temp
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 143 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 112,439,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 302 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 112,439,1963

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - rabbit
DOSE/DURATION           : 45 mg/kg
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 11,107,1966

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Unreported
TEST SYSTEM             : Rodent - rabbit
DOSE/DURATION           : 45 mg/kg/45D (Intermittent)
REFERENCE :
   ADRPBI Advances in Reproductive Physiology.  (New York, NY)  V.1-6, 1966-73.
    Discontinued.  Volume(issue)/page/year: 4,65,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 45 ug/kg
SEX/DURATION            : female 1-9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 3,347,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 ug/kg
SEX/DURATION            : female 3 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 5,473,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 45 mg/kg
SEX/DURATION            : male 45 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 11,107,1966

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPE

系列性分类


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