CAS 517-09-9|equilenin

Introduction：Basic information about CAS 517-09-9|equilenin, 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. Safety Information
5. Articles25
6. Synonyms

Common Name	equilenin
CAS Number	517-09-9	Molecular Weight	266.33400
Density	1.242g/cm3	Boiling Point	472.6ºC at 760mmHg
Molecular Formula	C₁₈H₁₈O₂	Melting Point	258-259°
MSDS	USA	Flash Point	200.9ºC
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.242g/cm3
Boiling Point	472.6ºC at 760mmHg
Melting Point	258-259°
Molecular Formula	C₁₈H₁₈O₂
Molecular Weight	266.33400
Flash Point	200.9ºC
Exact Mass	266.13100
PSA	37.30000
LogP	3.94440
Index of Refraction	1.662
InChIKey	PDRGHUMCVRDZLQ-WMZOPIPTSA-N
SMILES	CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KG6125000

CHEMICAL NAME :: Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-

CAS REGISTRY NUMBER :: 517-09-9

BEILSTEIN REFERENCE NO. :: 2335367

LAST UPDATED :: 199709

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C18-H18-O2

MOLECULAR WEIGHT :: 266.36

WISWESSER LINE NOTATION :: L E5 B666 FVTT&&J E1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1600 ug/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors

REFERENCE :: BSBSAS Boletin de la Sociedad de Biologia de Santiago de Chile. (Santiago, Chile) V.1-12, 1943-55. Discontinued. Volume(issue)/page/year: 8,142,1951

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 640 mg/kg/38W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,5200,1983

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 17 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors

REFERENCE :: RBBIAL Revista Brasileira de Biologia. Brazilian Review of Biology. (Academia Brasileira de Ciencias, Caixa Postal 229, ZC-00 Rio de Janeiro, Brazil) V.1- 1941- Volume(issue)/page/year: 5,1,1945

Safety Information

Symbol	GHS02, GHS07
Signal Word	Danger
Hazard Statements	H225-H302-H312-H319-H332
Precautionary Statements	P210-P280-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	F,Xn
Risk Phrases	11-20/21/22-36
Safety Phrases	16-26-36-36/37
RIDADR	UN 1648 3/PG 2

Articles25

Development of a liquid chromatography electrospray ionization tandem mass spectrometry method for analysis of stable 4-hydroxyequilenin-DNA adducts in human breast cancer cells.

Chem. Res. Toxicol. 22(6) , 1129-36, (2009)

Estrogen-DNA adducts are potential biomarkers for assessing cancer risk and progression in estrogen-dependent cancer. 4-Hydroxyequilenin (4-OHEN), the major catechol metabolite of equine estrogens pre...

Activation of estrogen receptor-mediated gene transcription by the equine estrogen metabolite, 4-methoxyequilenin, in human breast cancer cells.

Endocrinology 148(10) , 4793-802, (2007)

4-Methoxyequilenin (4-MeOEN) is an O-methylated metabolite in equine estrogen metabolism. O-methylation of catechol estrogens is considered as a protective mechanism; however, comparison of the proper...

Mechanism of translesion synthesis past an equine estrogen-DNA adduct by Y-family DNA polymerases.

J. Mol. Biol. 371(5) , 1151-62, (2007)

4-Hydroxyequilenin (4-OHEN)-dC is a major, potentially mutagenic DNA adduct induced by equine estrogens used for hormone replacement therapy. To study the miscoding property of 4-OHEN-dC and the invol...

Synonyms

Equilenin solution

EQU

Equilenina

d-Equilenin

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