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11α-Hydroxycanrenone

11α-Hydroxycanrenone structure

CAS No:
192569-17-8
Formula:
C22H28O4
Chemical Name:
11α-Hydroxycanrenone
Synonyms:
Pregna-4,6-diene-21-carboxylic acid,11,17-dihydroxy-3-oxo-,γ-lactone,(11α,17α)-;11α-Hydroxycanrenone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow Crystalline Solid

11α-Hydroxycanrenone Basic Attributes

Molecular Weight：

356.46

Exact Mass：

356.46

EC Number：

2017-001-1

Characteristics

PSA：

63.60000

XLogP3：

1.21

Appearance：

yellow crystalline solid

Density：

1.25

Melting Point：

232-234°C

Boiling Point：

584.7±50.0 °C(Predicted)

Flash Point：

207.3±23.6 °C

Refractive Index：

1.598

Storage Conditions：

-20°C Freezer

Safety Information

GHS Classification：

|Warning|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

11α-Hydroxycanrenone Use and Manufacturing

11α-Hydroxy Canrenone is the key intermediate in the synthesis of Eplerenone, a cardiovascular drug. Canrenone was biotransformed into 11α-Hydroxycanrenone by Aspergillus ochraceus SIT34205.

Computed Properties

Molecular Weight:356.5
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:356.19875937
Monoisotopic Mass:356.19875937
Topological Polar Surface Area:63.6
Heavy Atom Count:26
Complexity:751
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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