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11-Deoxycortisol

11-Deoxycortisol structure

CAS No:
152-58-9
Formula:
C21H30O4
Chemical Name:
11-Deoxycortisol
Synonyms:
Pregn-4-ene-3,20-dione,17,21-dihydroxy-;Compound S;17,21-Dihydroxypregn-4-ene-3,20-dione;Cortexolone;Cortisol,11-deoxy-;Cortodoxone;11-Deoxycortisol;11-Deoxyhydrocortisone;11-Desoxyhydrocortisone;17α,21-Dihydroxypregn-4-ene-3,20-dione;17α-Hydroxycortexone;17-Hydroxy-11-deoxycorticosterone;Δ4-Pregnene-17α,21-diol-3,20-dione;4-Pregnene-17α,21-diol-3,20-dione;Reichstein S;Reichstein's compound S;Reichstein's substance S;Substance S;17,21-Dihydroxyprogesterone;11-Deoxy-17-hydroxycorticosterone;11-Desoxycortisol;17α,21-Dihydroxyprogesterone;17,21-Dihydroxypregn-4-en-3,20-dione;4-Pregnen-17α,21-diol-3,20-dione;SKF 3050;11-Deoxycortisone;11-Desoxy-17α-hydroxycorticosterone;11-Deoxy-17-hydrocorticosterone;Cortifen;17α,21-Dihydroxy-4-pregnen-3,20-dione;NSC 18317;Reichstein substance S;4-Pregnene-11β,17,21-triol-3,20-dione;37-60-5;478614-16-3
Categories:
Analytical Chemistry > Standard

Description

Crystalline Solid

Solid

11-deoxycortisol is a deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. It has a role as a mouse metabolite and a human metabolite. It is a glucocorticoid, a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a deoxycortisol.|Cortodoxone is a glucocorticoid that is an intermediate in the biosynthesis of cortisol in the adrenal gland.|17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.

11-Deoxycortisol Basic Attributes

Molecular Weight：

346.46

Exact Mass：

346.46

EC Number：

205-805-2

UNII：

WDT5SLP0HQ

DSSTox ID：

DTXSID8045642

NCI Thesaurus Code：

C80813

Characteristics

PSA：

74.6

XLogP3：

3.08

Appearance：

Solid

Density：

1.22±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

215 °C

Boiling Point：

401.19°C (rough estimate)

Flash Point：

9℃

Refractive Index：

120 ° (C=1, Dioxane)

Storage Conditions：

-20°C Freezer

Vapor Pressure：

3.41E-13mmHg at 25°C

Collision Cross Section：

187.4 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|183.12 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|187.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|211 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|194 Å² [M-H]-|187.8 Å² [M+H]+

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

11-23/24/25-39/23/24/25

safety instructions：

24/25-22-45-36/37-16-7

RTECS Number：

TU5011500

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

Drug Information

Metabolism/Metabolites：

17Beta-21-dihydroxyprogesterone is a known human metabolite of 17alpha-hydroxy-progesterone.

MeSH Entry Terms：

11 Deoxycortisol

11-Deoxycortisol Use and Manufacturing

Uses

Glucocorticoid receptor binding

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Computed Properties

Molecular Weight:346.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:74.6
Heavy Atom Count:25
Complexity:652
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cortodoxone

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CAS No.: 152-58-9

Grade: Industrial Grade

Content: 98%

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CORTEXOLONE 152-58-9

CAS No.: 152-58-9

Grade: Industrail Grade

Content: 99%

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