quinestradol

Modify Date: 2024-01-13 15:57:22

quinestradol Structure
quinestradol structure
Common Name quinestradol
CAS Number 1169-79-5 Molecular Weight 356.49800
Density 1.188 g/cm3 Boiling Point 510.2ºC at 760 mmHg
Molecular Formula C23H32O3 Melting Point 98-100ºC
MSDS N/A Flash Point 262.3ºC

 Names

Name (16α,17β)-3-(Cyclopentyloxy)estra-1,3,5(10)-triene-16,17-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.188 g/cm3
Boiling Point 510.2ºC at 760 mmHg
Melting Point 98-100ºC
Molecular Formula C23H32O3
Molecular Weight 356.49800
Flash Point 262.3ºC
Exact Mass 356.23500
PSA 49.69000
LogP 4.19580
Vapour Pressure 3.12E-11mmHg at 25°C
Index of Refraction 1.597

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7395000
CHEMICAL NAME :
Estra-1,3,5(10)-triene-16-alpha,17-beta-diol, 3-(cyclopentyloxy)-
CAS REGISTRY NUMBER :
1169-79-5
LAST UPDATED :
198910
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H32-O3
MOLECULAR WEIGHT :
356.55
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FQ GQ OO- AL5TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
713 ug/kg
SEX/DURATION :
female 16-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
AOGMAU Annali di Ostetricia, Ginecologia, Medicina Perinatale. (Istiuti Clinica di Perfezionamento di Milano, Via Daverio, 6, 20122 Milan, Italy) V.93- 1972- Volume(issue)/page/year: 96,83,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 ug/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
STEDAM Steroids. (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609) V.1- 1963- Volume(issue)/page/year: 20,223,1972

 Synthetic Route

~90%

quinestradol Structure

quinestradol

CAS#:1169-79-5

Literature: Gueritee; Nicolas Patent: US4110324 A1, 1978 ;

 Precursor & DownStream

Precursor  3

DownStream  0

 Synonyms

4-oxo-3,4-dihydroquinazoline-2-carboxylic acid
3-cyclopentyl ether of estriol
EINECS 214-623-2
quinazolone-2-carboxylic acid
Oestriol-3-cyclopentylaether
Quinestradiol
3,4-dihydro-4-oxoquinazoline-2-carboxylic acid
4-Chinazolon-2-carbonsaeure
4-Quinazolone-2-carboxylic Acid
4-Oxo-3,4-dihydro-chinazolin-2-carbonsaeure
Chinazol-4-on-2-carbonsaeure