1,1-Dimethylethyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate

Iupac Name：methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

CAS No.：107724-20-9

Molecular Weight：414.498

Request For Quotation

1. Names and Identifiers

1.1 Name: 1,1-Dimethylethyl (1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate
1.2 Synonyms: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylic acid, 1,5,6,8-tetrahydro-8-oxo-, 1,1-dimethylethyl ester, (1R,5R)- 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxylic acid, 1,5,6,8-tetrahydro-8-oxo-, 1,1-dimethylethyl ester, (1R-cis)- N-Boc-cytisine

1.3 CAS No.: 107724-20-9

1.4 CID: 443872

1.5 Molecular Formula: C₁₄H₁₃NO₂ (isomer)

1.6 Inchi: InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1

1.7 InChkey: JUKPWJGBANNWMW-VWBFHTRKSA-N

1.8 Canonical Smiles: CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC

1.9 Isomers Smiles: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC

2. Properties

3.1 Melting point: 241-243oC

3.1 Refractive index: 1.587

3.1 Vapour pressure: 0mmHg at 25°C

3.1 Precise Quality: 414.20400

3.1 PSA: 82.20000

3.1 logP: 3.12450

3. Safety and Handling

4.1 RIDADR: 3077

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

5. Computational chemical data

Molecular Weight：414.498g/mol
Molecular Formula：C_₁₄H_₁₃NO_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：414.20423867
Monoisotopic Mass：414.20423867
Complexity：907
Rotatable Bond Count：2
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：82.2
Heavy Atom Count：30
Defined Atom Stereocenter Count：8
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Question & Answer

Pharmacology and Side Effects of Eplerenone May 17 2021
Aldosterone, the final product of the renin-angiotensin-aldosterone system (RAAS), is a mineralocorticoid hormone that classically acts, via the mineralocorticoid (aldosterone) receptor, on epithelia of the kidneys, colon, and sweat glands to maintain electrolyte homeostasis. Aldosterone has also b...

7. Recommended Suppliers

Global277SuppliersView all >>

Jilin Tely Imp & Exp Co., Ltd Diamond member

3YRS

Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
Tel:86-431-81915458
Email:cathytan@jltely.com

Hot Sales Eplerenone

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/05/20

Inquire

Wuhan Fortuna Chemical Co., Ltd. Diamond member

9YRS

Products:API
Tel:0086-27-59207850
Email:info@fortunachem.com

Good quality Eplerenone CAS 107724-20-9 supplied by manufacturer

Purity:99%Packing: 200kg/bag FOB
Price: 5 USD/gram
Time: 2022/05/20

Inquire

Hebei Yanxi Chemical Co.,Ltd Diamond member

3YRS

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-311-66561638
Email:xing@yan-xi.com

EplerenoneCAS NO.: 107724-20-9

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/05/19

Inquire

Henan Kanbei Chemical Co.,LTD Diamond member

1YR

Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
Tel:86-182-37818276
Email:hnkanbeichemical@126.com

Eplerenone

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/04/27

Inquire

Amitychem Corporation Diamond member

2YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Eplerenone

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2022/02/09

Inquire