CAS 1169-79-5|quinestradol

Introduction：Basic information about CAS 1169-79-5|quinestradol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

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	/	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
InChIKey	ODYKCPYPRCJXLY-PZORDLPLSA-N
SMILES	CC12CCC3c4ccc(OC5CCCC5)cc4CCC3C1CC(O)C2O

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

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

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