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64-85-7

64-85-7 structural image
Product Name: Desoxycorticosterone
Formula: C21H30O3
Synonyms: DOC;11-Deoxycorticosterone;Desoxycortone;11-Desoxycorticosterone;21-Hydroxy-4-pregnene-3,20-dione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 141 - 142 °C
Solubility 0.0595 mg/mL at 37 °C
LogP 2.88
Kovats Retention Index 3106.6

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 330.5 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 330.21949481 g/mol
Monoisotopic Mass 330.21949481 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 606
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

11-deoxycorticosterone is a mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. It has a role as a human metabolite and a mouse metabolite. It is a mineralocorticoid, a 3-oxo-Delta(4) steroid, a 20-oxo steroid, a 21-hydroxy steroid and a primary alpha-hydroxy ketone. It is functionally related to a progesterone.