甲氧炔雌醇

甲氧炔雌醇 基本信息
CAS号 34816-55-2 分子式 C21H26O3
分子量 326.42900 精确质量  326.18800
PSA  49.69000 LogP  3.23750

等价的CAS号:

25918-89-2,34816-55-2,61665-15-4

基本信息 展开↓

CAS号:
34816-55-2
3D弹球模型:
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分子式:
C21H26O3
分子量:
326.42900
中文名称:
甲氧炔雌醇
英文名称:
(8S,9S,11S,13S,14S,17R)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
中文别名:
甲氧炔雌醇
英文别名:
(8S,9S,11S,13S,14S,17R)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;
11beta-Methoxyethinylestradiol;
Moxestrolum;
Moxestrol;
RU 2858
精确分子量/精确质量:
326.18800
极性分子表面积/PSA:
49.69000
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: MTMZZIPTQITGCY-PUPXGCOSSA-N

物化性质展开↓

密度:
1.221g/cm3
沸点:
477.715ºC at 760 mmHg
闪点:
242.714ºC
折射率:
1.609

合成路线查看所有的合成路线

  • 21375-11-1

    11β-methoxyestrone

  • +

  • 74-86-2

    乙炔

  • 34816-55-2

    甲氧炔雌醇

  • 40128-89-0

    11beta-Methoxyestradiol

  • 34816-55-2

    甲氧炔雌醇

  • 21391-55-9

    11β-Methoxy-Δ4,9-estradien-3,17-dion

  • 34816-55-2

    甲氧炔雌醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RC8945000
CHEMICAL NAME :
19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-di ol, 11-beta-methoxy-
CAS REGISTRY NUMBER :
34816-55-2
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C21-H26-O3
MOLECULAR WEIGHT :
326.47
WISWESSER LINE NOTATION :
L E5 B666TTT&J CO1 E1 FQ F1UU1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
400 mg/kg/39W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
50 ug/kg
SEX/DURATION :
female 16-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Newborn - delayed effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
250 ug/kg
SEX/DURATION :
female 16-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1250 ug/kg
SEX/DURATION :
female 16-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth)

MUTATION DATA

TEST SYSTEM :
Rodent - hamster
DOSE/DURATION :
160 mg/kg/20W (Continuous)
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 311,191,1994

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    11β-Methoxy-Δ4,9-estradien-3,17-dion

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    11β-methoxyestrone

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