(3α)-Allopregnanolone3-β-D-Glucuronide
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(3α)-Allopregnanolone3-β-D-Glucuronide
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CAS No:
31300-86-4
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Formula:
C27H42O8
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Chemical Name:
(3α)-Allopregnanolone3-β-D-Glucuronide
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Synonyms:
(3α)-Allopregnanolone 3-β-D-Glucuronide;Allopregnanolone Glucuronide;β-D-Glucopyranosiduronic acid, (3α,5α)-20-oxopregnan-3-yl (9CI);(3α)-Allopregnanolone 3-β-D-Glucuronide
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CAS No:
(3α)-Allopregnanolone3-β-D-Glucuronide Use and Manufacturing
(3α)-Allopregnanolone 3-β-D-Glucuronide is the glucuronide conjugate of (3α)-Allopregnanolone (A547100), metabolite of progesterone and potent positive modulator of GABAA receptors.
Computed Properties
Molecular Weight:494.6
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:494.28796829
Monoisotopic Mass:494.28796829
Topological Polar Surface Area:134
Heavy Atom Count:35
Complexity:847
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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