EQUILINBENZOATE
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EQUILINBENZOATE
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CAS No:
6030-80-4
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Formula:
C25H24O3
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Chemical Name:
EQUILINBENZOATE
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Synonyms:
EQUILIN BENZOATE;Equilin 3-Benzoate;3-Benzoyloxyestra-1,3,5(10),7-tetren-17-one;1,3,5(10), 7-ESTRATETRAEN-3-OL-17-ONE BENZOATE;3-hydroxyestra-1,3,5(10),7-tetraen-17-one,benzoate
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CAS No:
Safety Information
3
40
36
KD7875000
Xn
P201, P202, P281, P308+P313, P405, P501
H351
|Warning|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
EQUILINBENZOATE Use and Manufacturing
Equilin 3-Benzoate is used in Equilin impurity profiling as per limits and threshold values specified by respective drug legislations, FDA and pharmacopoeial guidelines during commercial production of Equilin and its related formulations. Moreover, 3-(Benzoyloxy)-estra-1,3,5(10),7-tetraen-17-one is also used in process of Abbreviated New Drug Application (ANDA) filing to FDA and toxicity study of respective drug formulation.
Computed Properties
Molecular Weight:372.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:372.17254462
Monoisotopic Mass:372.17254462
Topological Polar Surface Area:43.4
Heavy Atom Count:28
Complexity:673
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes