盐酸野靛碱

盐酸野靛碱 基本信息
CAS号 6047-01-4 分子式 C4H6ClN3O
分子量 147.56300 精确质量  147.02000
PSA  71.77000 LogP  0.73530

基本信息 展开↓

CAS号:
6047-01-4
3D弹球模型:
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分子式:
C4H6ClN3O
分子量:
147.56300
中文名称:
盐酸野靛碱
英文名称:
6-amino-1H-pyrimidin-2-one,hydrochloride
中文别名:
盐酸野靛碱;
6-氨基嘧啶-2(1h)-酮盐酸盐
英文别名:
6-amino-1H-pyrimidin-2-one,hydrochloride;
6-Aminopyrimidin-2(1H)-one hydrochloride;
1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one,monohydrochloride;
(+/-)-cytisine hydrochloride;
1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on,Monohydrochlorid
精确分子量/精确质量:
147.02000
极性分子表面积/PSA:
71.77000
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:
227-940-6
InChI:
The Key: NNYPHEBIGWBCNH-OULXEKPRSA-N

物化性质展开↓

熔点:
152-153ºC
沸点:
218ºC at 2 MM HG

安全信息展开↓

海关代码:
2933599090

合成路线查看所有的合成路线

  • 109667-42-7

    (1R,9S)-N-benzyl cytisine

  • ~86%

  • 6047-01-4

    盐酸野靛碱

  • 744212-60-0

    1-[(1-benzyl-6-oxopiperidin-3-yl)methyl]-6-bromopyridin-2(1H)-one

  • 6047-01-4

    盐酸野靛碱

  • 744212-66-6

    11-benzyl-7,11-diazatricyclo[7.3.1]trideca-2,4-diene-6,12-dione

  • 6047-01-4

    盐酸野靛碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA4200000
CHEMICAL NAME :
Cytisine hydrochloride
CAS REGISTRY NUMBER :
6047-01-4
LAST UPDATED :
199109
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H14-N2-O.Cl-H
MOLECULAR WEIGHT :
226.73
WISWESSER LINE NOTATION :
T C666 A GVN LM&TTJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9400 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)
REFERENCE :
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1730 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)
REFERENCE :
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969

海关数据查看详细

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 109667-42-7

    (1R,9S)-N-benzyl cytisine

  • 744212-66-6

    11-benzyl-7,11-diazatricyclo[7.3.1]trideca-2,4-diene-6,12-dione

  • 744212-60-0

    1-[(1-benzyl-6-oxopiperidin-3-yl)methyl]-6-bromopyridin-2(1H)-one

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