Pregnanetriol
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Pregnanetriol
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CAS No:
1098-45-9
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Formula:
C21H36O3
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Chemical Name:
Pregnanetriol
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Synonyms:
Pregnane-3,17,20-triol,(3α,5β,20S)-;5β-Pregnane-3α,17,20α-triol;(3α,5β,20S)-Pregnane-3,17,20-triol;5β-Pregnane-3α,17α,20α-triol;3α,17α,20α-Trihydroxy-5β-pregnane;Pregnanetriol;NSC 52760;1369-06-8;27178-64-9
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CAS No:
Description
5beta-Pregnane-3alpha,17alpha,20alpha-triol is a corticosteroid hormone.|A metabolite of 17-ALPHA-HYDROXYPROGESTERONE, normally produced in small quantities by the GONADS and the ADRENAL GLANDS, found in URINE. An elevated urinary pregnanetriol is associated with CONGENITAL ADRENAL HYPERPLASIA with a deficiency of STEROID 21-HYDROXYLASE.
Characteristics
60.7
3.50190
1.123±0.06 g/cm3(Predicted)
254～255℃
469.9±10.0 °C(Predicted)
208.2ºC
1.551
chloroform/methanol (9:1): 50 mg/mL, clear, colorless
Safety Information
NONH for all modes of transport
3
22-24/25
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.
Pregnanetriol Use and Manufacturing
Labelled Pregnanetriol, a steroid present at elevated levels in the urine of patients with congenital adrenal hyperplasma. During treatment with cortisol replacement, elevated urine Pregnanetriol levels indicate insufficient dosage of cortisol. Pregnanetriol is also one of the urinary marker for adrenal incidentaloma. Pregnanetriol is a metabolite of Androstenedione (A637550).
Computed Properties
Molecular Weight:336.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:336.26644501
Monoisotopic Mass:336.26644501
Topological Polar Surface Area:60.7
Heavy Atom Count:24
Complexity:507
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes