Pregnanediol
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Pregnanediol
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CAS No:
80-92-2
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Formula:
C21H36O2
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Chemical Name:
Pregnanediol
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Synonyms:
Pregnane-3,20-diol,(3α,5β,20S)-;5β-Pregnane-3α,20α-diol;Diol;(3α,5β,20S)-Pregnane-3,20-diol;3α,20α-Dihydroxy-5β-pregnane;Pregnanediol;NSC 1612;NSC 47462
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CAS No:
Description
White Solid
Solid
Pregnanediol is a corticosteroid hormone. It is a tautomer of a 5beta-pregnane-3beta,20alpha-diol.|An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.
Pregnanediol Basic Attributes
320.51
320.51
201-313-7
JR3JD1Y22C
47462|1612
DTXSID6046218
2942000000
Characteristics
40.5
4.38700
Solid
1.067 g/cm3
243.5 °C
435.9ºC at 760 mmHg
191ºC
1.531
-20°C Freezer
D20 +27.4° (c = 0.7 in alc)
Safety Information
TU4157113
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Pregnanediol Use and Manufacturing
Labelled 5β-Pregnane-3α,20α-diol, a metabolite of Progesterone (P755900).
Computed Properties
Molecular Weight:320.5
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:320.271530387
Monoisotopic Mass:320.271530387
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:463
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
