Estriol-3-methyl ether (8R,9S,13S,14S,16R,17R)-3-甲氧基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢-6H-环戊烷[a]菲-16,17-二醇 （雌三醇杂质）

CAS 1474-53-9 MFCD00046284

化学结构图

1474-53-9
SMILES: COc1ccc2c(c1)CCC1C2CCC2(C)C(O)C(O)CC12

化学属性

Mol. FormulaC19H26O3
Mol. Weight302.41
Melting Point>145 °C

别名和识别编码

Chemical NameEstriol-3-methyl ether
Synonym (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {} {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {} {} {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {} {} {} {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {} {} {} {} {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol (Estriol Impurity) {} {} {} {} {} {LY} (8R,9S,13S,14S,16R,17R)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-d
MDL NumberMFCD00046284
CAS Number1474-53-9
InChIKeyUHQGCIIQUZBJAE-QKDSSNGWSA-N
PubChem Substance ID5284653
InChIInChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1
Chemical Name Translation(8R,9S,13S,14S,16R,17R)-3-甲氧基-13-甲基-7,8,9,11,12,13,14,15,16,17-十氢-6H-环戊烷[a]菲-16,17-二醇 （雌三醇杂质）
Canonical SMILESC[C@@]12[C@](C[C@H]([C@@H]2O)O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(OC)C=C4CC3
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安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
RTECSKG7540000
Signal word Warning
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5600 ug/kg
SEX/DURATION            : male 14 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 15,16,1977

Storage condition

系列性分类

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