equilenin

Modify Date: 2024-01-03 22:12:30

equilenin Structure
equilenin structure
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
GHS02, GHS07
Signal Word Danger

 Use of equilenin


Equilenin is an equine estrogen found in the urine of pregnant mares. Equilenin is also a naturally fluorescent steroid, has high binding affinity for human sex steroid-binding protein (SBP). At 4 degrees C the equilibrium association constant is approximately 6 X 10(7) M-1.

 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

 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
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

 Synthetic Route

 Articles25

More Articles
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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