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21-Deoxycortisol

21-Deoxycortisol structure

CAS No:
641-77-0
Formula:
C21H30O4
Chemical Name:
21-Deoxycortisol
Synonyms:
Pregn-4-ene-3,20-dione,11,17-dihydroxy-,(11β)-;Pregn-4-ene-3,20-dione,11β,17-dihydroxy-;Progesterone,11β,17-dihydroxy-;(11β)-11,17-Dihydroxypregn-4-ene-3,20-dione;11β,17α-Dihydroxypregn-4-ene-3,20-dione;Pregn-4-ene-11β,17α-diol-3,20-dione;21-Deoxycortisol;21-Desoxycortisol;11β,17α-Dihydroxyprogesterone;21-Dehydrohydrocortisone;21-Deoxyhydrocortisone;186821-85-2
Categories:
Analytical Chemistry > Standard

Description

Pale Yellow Solid

21-deoxycortisol is a deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a human blood serum metabolite and a mouse metabolite. It is an 11beta-hydroxy steroid, a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone and a deoxycortisol.

21-Deoxycortisol Basic Attributes

Molecular Weight：

346.46

Exact Mass：

346.46

EC Number：

211-375-7

UNII：

XZ1JYU14MZ

Characteristics

PSA：

74.6

XLogP3：

2.80920

Density：

1.21g/cm3

Melting Point：

225-228 °C

Boiling Point：

523.9ºC at 760 mmHg

Flash Point：

9℃

Refractive Index：

1.576

Storage Conditions：

-20°C

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：

7-16-36/37-45

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

GHS Classification：

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P260, P281, P308+P313, P314, 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.

Drug Information

MeSH Entry Terms：

21-deoxycortisol

21-Deoxycortisol Use and Manufacturing

Uses

A metabolite of Fluticasone propionate (F599500).

Use Classification：

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

Computed Properties

Molecular Weight:346.5
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:74.6
Heavy Atom Count:25
Complexity:667
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes