Aldosterone hemiacetal

CAS 6251-69-0 MFCD N/A

化学结构图

6251-69-0
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3(C(O)O2)[C@@H](C(=O)CO)CC[C@@H]13

化学属性

Mol. Weight360.49
Mol. FormulaC21H28O5

别名和识别编码

Chemical NameAldosterone hemiacetal
Chemicalbook IDCB12371017
Wiswesser Line NotationT5 G6 F66 B5 A DO JV KUTJ CQ G1 SV1Q
Synonym 11-beta,21-Dihydroxy-3,20-dioxopregn-4-en-18-al 11-beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione 3,20-Diketo-11-beta,18-oxido-4-pregnene-18,21-diol Aldosterone
CAS Number6251-69-0
InChIKeyQUQBHBRVKLEOEI-UBWIUKTRSA-N
PubChem Substance ID5461066
InChIInChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1
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安全信息

RTECSTU5023000 
TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Human Liver
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 370,49,1996

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5500 ug/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - delayed effects
REFERENCE :
   JCINAO Journal of Clinical Investigation.  (Rockefeller Univ. Press, 1230
   York Ave., New York, NY 10021)  V.1-    1924-  Volume(issue)/page/year:
   41,710,1962

系列性分类

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