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- Equilin sodium sulfate
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| Name |
Equilin sodium sulfate |
EINECS | N/A |
| CAS No. | 16680-47-0 | Density | g/cm3 |
| PSA | 91.88000 | LogP | 3.95170 |
| Solubility | N/A | Melting Point |
159-161°C |
| Formula | C18H20 O5 S . Na | Boiling Point | °Cat760mmHg |
| Molecular Weight | 370.402 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Confirmed carcinogen. When heated to decomposition it emits toxic fumes of SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Equilin,sulfate, sodium salt (6CI); Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodiumsalt (9CI); Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-, hydrogen sulfate,sodium salt (8CI); Equilin sodium sulfate; Sodium equilin 3-monosulfate; Sodiumequilin sulfate |
Equilin sodium sulfate Chemical Properties
Empirical Formula: C18H19NaO5S
Molecular Weight: 370.3952
EINECS: 240-727-2
Structure of Equilin sodium sulfate (CAS NO.16680-47-0):
IUPAC Name of Equilin sodium sulfate (CAS NO.16680-47-0): Sodium[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Canonical SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+]
Isomeric SMILES: C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+]
InChI: InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
InChIKey: QTTMOCOWZLSYSV-QWAPEVOJSA-M
Equilin sodium sulfate Consensus Reports
NTP 10th Report on Carcinogens.
Equilin sodium sulfate Safety Profile
Confirmed carcinogen. When heated to decomposition it emits toxic fumes of SOx.
Equilin sodium sulfate Specification
Equilin sodium sulfate ,its cas register number is 16680-47-0. It also can be called Sodium equilin sulfate ; 17-Oxoestra-1,3,5(10),7-tetraen-3-yl sodium sulfate ; and Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt . Equilin sodium sulfate (CAS NO.16680-47-0) is an estrogenic steroid produced by horses. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares.
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