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3α,21-Dihydroxy-5β-pregnan-20-on

Tetrahydrodeoxycorticosterone

HCID 9974162
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Grundinformationen

CAS
567-03-3
Standard-SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12
InChIKey
CYKYBWRSLLXBOW-DATPGIFZSA-N
Summenformel
C21H34O3
Durchschnittliche Molmasse
334,5 g/mol
Monoisotopische Masse
334,25079494

Überblick

RN given refers to (3alpha,5beta)-isomer

Namen und Bezeichner

Bevorzugter Name
Tetrahydrodeoxycorticosterone
IUPAC
2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Lokaler Name
3α,21-Dihydroxy-5β-pregnan-20-on
Englischer Name
Tetrahydrodeoxycorticosterone
Summenformel
C21H34O3
Molmasse
334.49

Namen und Synonyme

Tetrahydrodeoxycorticosterone567-03-33alpha,21-Dihydroxy-5beta-pregnan-20-one4AB717DP4ADTXSID4013083745beta-pregnan-3alpha,21-diol-20-one3 alpha,21-dihydroxy-5 beta-pregnan-20-one5alpha-Pregnane-3alpha,21-diol-20-oneRefChem:932806tetrahydrodesoxycorticosteronepregnane-3,21-diol-20-oneDTXCID801738282
Weitere Namen anzeigen
21-HYDROXYPREGNANOLONETH DOCTETRAHYDRO DOCTETRAHYDROCORTEXONETETRAHYDRO CMPD ''Q''TETRAHYDRO SUBSTANCE 'Q'5β-Pregnan-3α,21-diol-20-oneDeoxytetrahydrocorticosterone5B-pregnane-3A-21-diol-20-one5β-PREGNAN-3α, 21-DIOL-20-ONE
5alpha-pregnan-3alpha,21-diol-20-one3 alpha,5 beta-tetrahydrodeoxycorticosterone3 beta,5 alpha-tetrahydrodeoxycorticosterone209-301-3THDOCTetrahydro 11-DeoxycorticosteroneTetrahydro-11-deoxycorticosterone2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,2
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
24
Formalladung
0
Komplexität
517

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
150 · 150-153°C
Siedepunkt
470.3 · 470.3±15.0 °C(Predicted)
Dichte
1.115 · 1.115±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
Löslichkeit
Chloroform (Sparingly), Methanol (Slightly)
pka
12.98 · 12.98±0.10(Predicted)
Aggregatzustand
Solid
Farbe
White to Off-White

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.

Endogenous compounds or drugs that affect neuronal excitability through modulation of specific ionotropic receptors (e.g., GABA-A RECEPTORS). Endogenous neurosteroids are steroid hormones de novo synthesized by neurons and glial cells from steroid metabolite precursors (e.g., PREGNENOLONE).

Anwendungen

VerwendenTetrahydro 11-Deoxycorticosterone is a metabolite of 11-Deoxycorticosterone (DOC) (D232590).

Anbieter19 Anbieter

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]

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Datenbank-Bezeichner

CAS
567-03-3
PubChem CID
9974162
DTXSID
DTXSID401308374
ChEMBL
CHEMBL3140372
UNII
4AB717DP4A
EC Number
209-301-3
Nikkaji
J39.513G
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]