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26698-66-8

26698-66-8 structure
26698-66-8 structure
  • Name: (17R)-3-(Hydroxyimino)-19-norpregn-4-en-20-yn-17-ol 17-(1-adamantanecarboxylate)
  • Chemical Name: [(3E,8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
  • CAS Number: 26698-66-8
  • Molecular Formula: C31H41NO3
  • Molecular Weight: 475.66200
  • Create Date: 2016-12-09 20:05:40
  • Modify Date: 2022-06-09 11:58:53

Name [(3E,8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
Synonyms 1-Adamantanecarboxylic acid,ester with 17-hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one oxime
19-Norpregn-4-en-20-yn-3-one,17-((tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)oxy)-,oxime,(17alpha)
Molecular Formula C31H41NO3
Molecular Weight 475.66200
Exact Mass 475.30900
PSA 58.89000
LogP 6.52090
Vapour Pressure 0mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RC8995000
CHEMICAL NAME :
19-Nor-17-alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, 1-adamantanecarboxylate (ester), oxime
CAS REGISTRY NUMBER :
26698-66-8
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C32-H43-N-O3
MOLECULAR WEIGHT :
489.76
WISWESSER LINE NOTATION :
L E5 B666 OYTJ E1 OUNQ FOV- BL66 B6/B-H/DI A B- C 1B ITJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2800 ug/kg
SEX/DURATION :
male 7 day(s) pre-mating female 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,113,1973