Pregna-4,16-diene-3,20-dione
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Pregna-4,16-diene-3,20-dione
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CAS No:
1096-38-4
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Formula:
C21H28O2
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Chemical Name:
Pregna-4,16-diene-3,20-dione
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Synonyms:
Pregna-4,16-diene-3,20-dione;16-Dehydroprogesterone;NSC 11037;16,17-Didehydroprogesterone;Δ16-Progesterone;Δ4,16-Pregnadiene-3,20-dione;3,20-Dioxopregna-4,16-diene;NSC 9785
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CAS No:
Description
16-Dehydroprogesterone is a steroidal progestin.
Solid
16,17-didehydroprogesterone is a 20-oxo steroid, a 3-oxo-Delta(4) steroid and an enone. It derives from a progesterone.
Characteristics
34.1
4.64360
Solid
1.10±0.1 g/cm3(Predicted)
186 °C
461.0±45.0 °C(Predicted)
171.5ºC
1.557
2-8ºC
1.11E-08mmHg at 25°C
Safety Information
3
R20/21/22;R40
22-36
Xn
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501
H302
|Warning|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Pregna-4,16-diene-3,20-dione Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Computed Properties
Molecular Weight:312.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:312.208930132
Monoisotopic Mass:312.208930132
Topological Polar Surface Area:34.1
Heavy Atom Count:23
Complexity:640
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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