PREGNANE-3,17,20-TRIOL, (3.ALPHA.,5.BETA.,20S)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O3
Molecular Weight	336.5087
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PREGNANE-3,17,20-TRIOL, (3.ALPHA.,5.BETA.,20S)-

Structure Search

SMILES

[H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=SCPADBBISMMJAW-UHHUKTEYSA-N

InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O3
Molecular Weight	336.5087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20558634

Pregnanetriol is a steroid metabolite of progesterone. Elevated levels of pregnanetriol in urine indicate a disruption of adrenal steroidogenic pathways.

Originator

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Adrenal hyperplasia 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20558634	Diagnostic		Natural Metabolite	Unknown Approved Use Unknown

PubMed

PubMed

Title	Date	PubMed
Estimation of pregnanediol and pregnanetriol in urine.	1965 Jun	5837499
Monitoring of therapy in congenital adrenal hyperplasia.	2010 Aug	20558634

Patents

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

A method for determination of pregnanetriol in the urine of patients consists of enzymatic hydrolysis, extraction, and purification, thin-layer chromatography, and quantitation by the color reaction.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:49:19 GMT 2023` Edited by `admin` on `Sat Dec 16 05:49:19 GMT 2023`
Record UNII	43822S61TB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREGNANE-3,17,20-TRIOL, (3.ALPHA.,5.BETA.,20S)-

Systematic Name

English

3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-5.BETA.-PREGNANE

Common Name

English

5.BETA.-PREGNANE-3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIOL

Common Name

English

5.BETA.-PREGNANE-3.ALPHA.,17,20.ALPHA.-TRIOL

Common Name

English

NSC-52760

Code

English

PREGNANETRIOL

Systematic Name

English

Classification Tree Code System Code

LOINC

39566-5

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

LOINC

82899-6

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LOINC

82852-5

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34361-6

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LOINC

82853-3

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

LOINC

34360-8

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LOINC

82855-8

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

LOINC

15092-0

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

LOINC

2836-5

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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14886-6

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LOINC

82854-1

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LOINC

2835-7

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LOINC

30512-8

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

LOINC

82898-8

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

CFR

21 CFR 862.1610

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID00911364

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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NSC

52760

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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PUBCHEM

101967

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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ECHA (EC/EINECS)

214-148-0

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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CAS

1098-45-9

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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FDA UNII

43822S61TB

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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WIKIPEDIA

PREGNANETRIOL

Created by admin on Sat Dec 16 05:49:19 GMT 2023 , Edited by admin on Sat Dec 16 05:49:19 GMT 2023

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