CAS 566-65-4 5alpha-Dihydroprogesterone (HCID 92810)

Namen und Bezeichner

Bevorzugter Name: 5alpha-Dihydroprogesterone
IUPAC: (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Lokaler Name: 5-α-Pregnan-3,20-dion
Englischer Name: 5α-Pregnane-3,20-dione
Summenformel: C21H32O2
Molmasse: 316.48

Namen und Synonyme

566-65-45alpha-Pregnane-3,20-dione3,20-Allopregnanedione5-alpha-Dihydroprogesterone5alpha-Dihydroprogesterone3,20-Dioxo-5alpha-pregnane98G4S1OH0Z(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneDTXSID301017277NSC-18319CHEBI:289525alpha DHP

Weitere Namen anzeigen

5α-dihydroprogesteronePregnane-3,20-dione5α-pregnane-3,20-dione5-Alpha-Dihydro Progesterone-d8ALLOPREGNANDIONEAllopregnanedionePregnane-3,20-dloneEstrone Impurity 235A-PREGNAN-3,20-DIONE

5alpha-DHP5beta DHP5beta-DHP5 alpha Pregnanedione5-alpha-Pregnanedione3,20 Allopregnanedione5 beta Dihydroprogesterone5 alpha Dihydroprogesterone

Datenbank-Bezeichner

CAS: 566-65-4
PubChem CID: 92810
DTXSID: DTXSID301017277
ChEMBL: CHEMBL407717
ChEBI: CHEBI:28952
UNII: 98G4S1OH0Z
EC Number: 209-297-3
Nikkaji: J6.519F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 23
Formalladung: 0
Komplexität: 538

Experimentelle und physikochemische Eigenschaften

Melting Point200 °C

Physical DescriptionSolid

Kovats Retention Index2665

Physikochemische Eigenschaften

Schmelzpunkt: 200 °C · 200 °C
Siedepunkt: 429.2 · 429.2±38.0 °C(Predicted)
Dichte: 1.048 · 1.048±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: XMRPGKVKISIQBV-CVHNGYJVSA-N
SMILES: C1(=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)CC2
CAS Datenbank: 566 · 566-65-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,20-Allopregnanedione(566-65-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H351 (50%): Suspected of causing cancer [Warning Carcinogenicity]；H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H361fd (50%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Carc. 2 (50%)；Repr. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 2937.29.9095
RTECS-Nr.: TU4157150

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsFibroblasts；Testis

Cellular LocationsExtracellular；Membrane

Metabolite Pathways · 1 Eintrag

11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；21-hydroxylase deficiency (CYP21)；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia due to 21-hydroxylase Deficiency；Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia due to 17 Alpha-hydroxylase Deficiency；Apparent mineralocorticoid excess syndrome；Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH；Corticosterone methyl oxidase I deficiency (CMO I)；Corticosterone methyl oxidase II deficiency - CMO II；Total 11 pathways, visit the HMDB page for details

Anwendungen

Verwenden(5α)-Pregnane-3,20-dione exerts neuroprotective effects in chronic autoimmune encephalomyelitis (EAE). The neuroactivity of the steroid acts as a therapeutic agent for multiple sclerosis.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

PREGNANEDIONE Progesteron

Nachgelagerte Produkte

Pregnan-20-one, 3-hydroxy-3-methyl-, (3β,5α)-GANAXOLONE Pregnan-20-one, (5alpha)-

Anbieter100 Anbieter

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [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]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 5alpha-pregnane-3,20-dione is a C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. It has a role as a human metabolite and a progestogen. It is a 20-oxo steroid, a C21-steroid hormone and a 3-oxo-5alpha-steroid. It is functionally related to a progesterone. It derives from a hydride of a 5alpha-pregnane.