(1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol

(1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol 基本信息
CAS号 23107-12-2 分子式 C8H11NO2
分子量 153.17800 精确质量  153.07900
PSA  45.39000 LogP  0.41750

基本信息 展开↓

CAS号:
23107-12-2
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分子式:
C8H11NO2
分子量:
153.17800
英文名称:
(1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol
英文别名:
(1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol;
Dehydroretronecine;
Dehydroretronecin;
Antibiotic DC 52;
DC 52;
dehydroretrorecine
精确分子量/精确质量:
153.07900
极性分子表面积/PSA:
45.39000
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: QFPRRXUPCPFWKD-SSDOTTSWSA-N

物化性质展开↓

密度:
1.39g/cm3
沸点:
361.2ºC at 760mmHg
闪点:
172.3ºC
折射率:
1.65
蒸汽压:
7.54E-06mmHg at 25°C

合成路线查看所有的合成路线

  • 480-85-3

    1,1'-二氧代环己醇

  • ~77%

  • 23107-12-2

    (1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol

  • 315-22-0

    野百合碱

  • 23107-12-2

    (1R)-7-(Hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH7260000
CHEMICAL NAME :
Retronecine, 3,8-didehydro-
CAS REGISTRY NUMBER :
23107-12-2
LAST UPDATED :
199510
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C8-H11-N-O2
MOLECULAR WEIGHT :
153.20
WISWESSER LINE NOTATION :
T55 AN&TJ D1Q FQ -R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
122 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
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
56 mg/kg/2W-I
TOXIC EFFECTS :
Cardiac - changes in heart weight Lungs, Thorax, or Respiration - changes in lung weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
120 mg/kg/28W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
80 mg/kg/4W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1438 mg/kg/47W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Kidney
DOSE/DURATION :
250 ug/L
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,161,1980 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,333,1976 TOXICOLOGY REVIEW CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1171,1976

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