Compound: equilin
SMILES: O=C1[C@@]2([C@H](C3=CCc4cc(O)ccc4[C@H]3CC2)CC1)C
InChIKey: WKRLQDKEXYKHJB-HFTRVMKXSA-N
Synonyms: equilin, 474-86-2, 7-Dehydroestrone, Dihydroequilenin, 3-HYDROXYESTRA-1,3,5(10),7-TETRAEN-17-ONE, 1,3,5,7-Estratetraen-3-ol-17-one, Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-, DTXSID7047433, NSC-10971, Equilin (USP), Equilin [USP], 08O86EX0J4, DTXCID5027433, CHEBI:42309, NSC10971, DTXSID90859387, RefChem:591016, DTXCID90210237, (1S,11S,15S)-5-hydroxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5,9-tetraen-14-one, 207-488-6, (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one, MLS000028624, SMR000058656, 3-hydroxy-estra-1,3,5(10),7tetraen-17-one, UNII-08O86EX0J4, CCRIS 9074, Equilin CRS, CAS-474-86-2, Equilin; 1,3,5,7-Estratetraen-3-ol-17-one; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one; 7-Dehydroestrone; NSC 10971; Estrogens conjugated Impurity J, Prestwick_219, EINECS 207-488-6, Equilin (Standard), NSC 10971, BRN 2624302, Opera_ID_780, EQUILIN [MI], EQUILIN [MART.], Prestwick0_000850, Prestwick1_000850, Prestwick2_000850, Prestwick3_000850, EQUILIN [USP-RS], EQUILIN [WHO-DD], 3-Hydroxyoestra-1,3,5(10),7-tetraen-17-one, BSPBio_000839, 4-08-00-01366 (Beilstein Handbook Reference), MLS001148117, SCHEMBL124758, SPBio_002760, BPBio1_000923, CHEMBL323533, orb1707963, EQUILIN [USP MONOGRAPH], SCHEMBL29906201, HY-B1176R, HMS1570J21, HMS2097J21, HMS2233A16, HMS3714J21, Conjugated Estrogens EP Impurity J, HY-B1176, Tox21_302641, 1,5,7-Estratetraen-3-ol-17-one, BDBM50423544, LMST02010026, MSK011105, AKOS024285096, CCG-220850, CS-4786, DB02187, FE22775, MSK011105-100A, MSK011105-1000A, NCGC00179406-01, NCGC00256728-01, MS-23795, ST081365, Equilin Solution in Acetonitrile, 100ug/mL, Equilin, VETRANAL(TM), analytical standard, NS00009153, 3-Hydroxyestra-1,5(10),7-tetraen-17-one, Equilin Solution in Acetonitrile, 1000ug/mL, WLN: L E5 B666 FV JUTTT&J E1 OQ, D04041, F85251, S00287, 3-hydroxy-estra-1,3,5(10), 7-tetraen-17-one, 3-hydroxy-estra-1,3,5(10),7-tetraen-17-one, Estra-1,5(10),7-tetraen-17-one, 3-hydroxy-, SR-01000721841, Q5384492, SR-01000721841-2, BRD-K04046242-001-03-6, Equilin, European Pharmacopoeia (EP) Reference Standard, Equilin, United States Pharmacopeia (USP) Reference Standard, (11aS,6bS,8aS)-4-hydroxy-8a-methyl-2,7,8,10,11,11a,6b,8a-octahydrocyclopenta[1 ,2-a]phenanthren-9-one, (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,13,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro- 6H-cyclopenta[a]phenanthren-17-one, Equilin; 7-Dehydroestrone; 3-Hydroxy-1,3,5(10),7-estratetraen-17-one; 1,3,5(10),7-Estratetraen-3-ol-17-one
Theoretical properties:
molecular_formula: C18H20O2
molecular_weight: 268.3 g/mol
exact_mass: 268.146329876 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 20
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Equilin is a 17-oxo steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.
chembl: EQUILIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Equilin is a naturally occurring estrogen sex hormone found in horses as well as a medication. It is one of the estrogens present in the estrogen combination drug preparations known as conjugated estrogens (CEEs; e.g. Premarin) and esterified estrogens (EEs; e.g. Estratab, Menest). CEEs is the most commonly used form of estrogen medications in hormone replacement therapy (HRT) for menopausal symptoms in the United States. Estrone sulfate is the major estrogen in CEEs (about 50%) while equilin sulfate is the second major estrogen in the formulation, present as about 25% of the total.