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641-79-2

Pregnane-3,6,17-triol-20-one is a steroidal compound derived from the pregnane class, characterized by its unique molecular structure featuring three hydroxyl groups at the 3, 6, and 17 positions, and a ketone group at the 20 position. This chemical is a metabolite of various steroid hormones, such as cortisol and aldosterone, and plays a significant role in the regulation of physiological processes in the human body. It is involved in the synthesis of other important steroids and has been studied for its potential therapeutic applications, particularly in the treatment of certain hormonal imbalances and conditions related to the adrenal cortex. The compound's structure and biological activity make it an important molecule in the field of endocrinology and drug development.

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  • 641-79-2 Structure

  • Basic information

    1. Product Name: pregnane-3,6,17-triol-20-one
    2. Synonyms: pregnane-3,6,17-triol-20-one
    3. CAS NO:641-79-2
    4. Molecular Formula: C21H34 O4
    5. Molecular Weight: 350.49
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 641-79-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 504.6°C at 760 mmHg
    3. Flash Point: 273°C
    4. Appearance: /
    5. Density: 1.189g/cm3
    6. Vapor Pressure: 2.71E-12mmHg at 25°C
    7. Refractive Index: 1.562
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: pregnane-3,6,17-triol-20-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: pregnane-3,6,17-triol-20-one(641-79-2)
    12. EPA Substance Registry System: pregnane-3,6,17-triol-20-one(641-79-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 641-79-2(Hazardous Substances Data)

641-79-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 641-79-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 641-79:
(5*6)+(4*4)+(3*1)+(2*7)+(1*9)=72
72 % 10 = 2
So 641-79-2 is a valid CAS Registry Number.
InChI:InChI=1/C21H34O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13?,14-,15+,16+,17?,18?,19-,20+,21+/m1/s1

641-79-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

1.2 Other means of identification

Product number -
Other names Pregnane-3,6,17-triol-20-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:641-79-2 SDS

641-79-2Downstream Products

641-79-2Relevant articles and documents

A synthesis of 3alpha,6alpha,17alpha-trihydroxy-5beta-pregnan-20-one (triolone) from 3alpha,6alpha-dihydroxy-5beta-pregnan-20-one (diolone).

Mazurkiewicz, Witold

, p. 281 - 284 (2007/10/03)

An optimization of synthesis of 3alpha,6alpha,17alpha-trihydroxy-5beta-pregnan-20-one from 3alpha,6alpha-dihydroxy-5beta-pregnan-20-one by subsequent acetylenolization, epoxidation, and ring opening reactions has been described. Epoxide hydrolysis at different temperatures (room and at boiling) has also been investigated.

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