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

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)-

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	MOL RATIO 1 MOL RATIO (average)

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

Description

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	Diagnostic		Natural Metabolite	Unknown

PubMed

Show entries

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

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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
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

Showing 1 to 5 of 6 entries

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Classification Tree

Code System

Code

Urine

LOINC

39566-5

Urine

LOINC

82899-6

Urine

LOINC

82852-5

Urine

LOINC

34361-6

Urine

LOINC

82853-3

Showing 1 to 5 of 15 entries

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Code System

Code

Type

Description

EPA CompTox

DTXSID00911364

PRIMARY

NSC

52760

PRIMARY

PUBCHEM

101967

PRIMARY

ECHA (EC/EINECS)

214-148-0

PRIMARY

CAS

1098-45-9

PRIMARY

Showing 1 to 5 of 7 entries

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SMILES

InChI

Description<div class="info-popup-container"><div><span class="pop-sub-key ">Sources:&nbsp;</span><span class="pop-sub-val"><span class="ext-link"><a target="_self" href="https://www.ncbi.nlm.nih.gov/pubmed/20558634">https://www.ncbi.nlm.nih.gov/pubmed/20558634</a></span></span></div></div>

Originator

Approval Year

Conditions

PubMed

Patents

Sample Use Guides

Description