6,7-Dihydrocanrenone (2'R,8R,9S,10R,13S,14S)-10,13-二甲基-1,6,7,8,9,10,11,12,13,14,15,16-十二氢-3'H-螺环[a]菲-17,2'-呋喃]-3,5’(2H,4'H)-二酮 （螺内酯杂质）

CAS 976-70-5 MFCD00976705

化学结构图

976-70-5
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1

化学属性

Mol. FormulaC22H30O3
Mol. Weight342.47
Melting Point156-159 °C
Boiling Point522.8±50.0 °C at 760 mmHg

别名和识别编码

Wiswesser Line NotationL E5 B666 FX OV MUTJ A1 E1 F-& CT5VOXTJ
Chemical Name6,7-Dihydrocanrenone
Synonym (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione (Spironolactone Impurity) {LY} (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione (Spironolactone Impurity) {} {LY} (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione (Spironolactone Impurity) {} {} {LY} (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione (Spironolactone Impurity) {} {} {} {LY} (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione (Spironolactone Impurity) {} {} {} {} {LY} (2'R,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,6,7,8,9,10,1
CAS Number976-70-5
Beilstein Registry Number0043765
InChIKeyUWBICEKKOYXZRG-WNHSNXHDSA-N
Chemical Name Translation(2'R,8R,9S,10R,13S,14S)-10,13-二甲基-1,6,7,8,9,10,11,12,13,14,15,16-十二氢-3'H-螺环[a]菲-17,2'-呋喃]-3,5’(2H,4'H)-二酮 （螺内酯杂质）
PubChem Substance ID101931
InChIInChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
Canonical SMILESC[C@@]12[C@@]3(OC(CC3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(CC4)=CC(CC5)=O)C)([H])CC2
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安全信息

RTECSTU4810000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 490 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 126,123,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 126,123,1959

Storage condition

系列性分类

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