ChemicalBook--->CAS DataBase List--->285979-79-5

285979-79-5

285979-79-5 Structure

285979-79-5 Structure
IdentificationBack Directory
[Name]

Equilin-d4
[CAS]

285979-79-5
[Synonyms]

Equilin-d4
NSC 10971-d4
[2H4]-Equilin
7-Dehydroestrone-d4
EQUILIN-2,4,16,16-D4
EQUILIN-2,4,16,16-D4 98%
EQUILENIN-2,4,16,16-D4 97-98%
EQUILIN-2,4,16,16-D4, 98 ATOM % D
1,3,5,7-Estratetraen-3-ol-17-one-d4
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one-d4
(9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
[Molecular Formula]

C18H16D4O2
[MDL Number]

MFCD01074212
[MOL File]

285979-79-5.mol
[Molecular Weight]

272.37
Chemical PropertiesBack Directory
[Melting point ]

238-240 °C(lit.)
[storage temp. ]

Refrigerator
[solubility ]

Dioxane (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
[form ]

Solid
[color ]

White to Off-White
[Optical Rotation]

[α]25/D 325°, c = 2 in ethanol
[InChI]

1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D
[InChIKey]

WKRLQDKEXYKHJB-DLIXUXMWSA-N
[SMILES]

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)C3=CCc2c([2H])c1O
[EPA Substance Registry System]

Estra-1,3,5(10),7-tetraen-17-one-2,4,16,16-d4, 3-hydroxy- (285979-79-5)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H351-H361
[Precautionary statements ]

P201-P202-P280-P308+P313-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-62-40-63
[Safety Statements ]

36-36/37
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Carc. 2
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

As an estrogen found in Premarin, Equilin-d4 is a mixture of conjugated estrogens widely used in hormone replacement therapy.
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