(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide

HCID 9864387CAS 98319-24-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
ZOIUUCNFVDJSJK-WSBQPABSSA-N
Summenformel
C23H38N2O2
Durchschnittliche Molmasse
374,6 g/mol
Monoisotopische Masse
374,29332846

Namen und Bezeichner

Bevorzugter Name
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide
IUPAC
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
Englischer Name
Dihydroproscar
Summenformel
C23H38N2O2
Molmasse
374.56

Namen und Synonyme

(4AR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamideRefChem:403148642-100-2Dihydroproscar98319-24-5Dihydro FinasterideDihydrofinasterideFinasteride EP Impurity AFinasteride Impurity A1,2-DihydrofinasterideMFCD00214352
Weitere Namen anzeigen
ANDROST-4-AZA-3-ONE-17BETA-N-TERT-BUTYL CARBOXAMIDEN-tert-butyl-3-oxo-4-aza-5α-androst-17β-carboxamide17β-(t-Butylcarbamoyl)-4-aza-5α-androstan-3-one3-oxo-4-aza-5a-androstane-17b-(n-tert-butylcarboxamide)DihydropercaFinasteride-ADihydro Persian Card
YXO6UEY0UP3-Oxo-4-aza-5-alpha-androstane-17-beta-N-t-butylcarboxamide(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)C23H38N2O2(5|A,17|A)-N-(1,1-Dimethylethyl)-3-oxo-4-aza-androstane-17-carboxamide

Datenbank-Bezeichner

CAS
98319-24-5
PubChem CID
9864387
DTXSID
DTXSID40432068
ChEMBL
CHEMBL2298592
UNII
YXO6UEY0UP
EC Number
642-100-2
Nikkaji
J695.696C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
58,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
27

Physikochemische Eigenschaften

Schmelzpunkt
273 · 273-275 °C
Siedepunkt
569.4 · 569.4±49.0 °C(Predicted)
Dichte
1.051 · 1.051±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
Löslichkeit
Chloroform (Slightly), Methanol
pka
15.94 · 15.94±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk
3
hs_code
29242990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Anwendungen

VerwendenThe reduced product of Finasteride (F342000): a mechanism-based inhibitor of human prostate and skin steroid 5α-reductase. It forms an enzyme-bound NADP-dihydrofinasteride adduct during this inhibitor y process.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]

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