CAS 137590-32-0

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: (r)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1r)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid, (8a,9r)-cinchonan-9-ol mono[[(s)-[(1r)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]ac, Cinchonan-9-ol, (8alpha,9r)-, mono[[(s)-[(1r)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt) (9ci), Ec 415-820-8, Dtxsid401334999, Akos015999139

Molecular Formula

C₃₈H₅₁N₂O₇P

Molecular Weight

678.8 g/mol

InChI Key

AMCLPZVIVCCLMU-ZBTQCTNHSA-N

1 2D Structure

CAS 137590-32-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1R)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid

2.1.2 InChI

InChI=1S/C19H22N2O.C19H29O6P/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h2-7,9,13-14,18-19,22H,1,8,10-12H2;5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)/t13-,14-,18-,19+;19-,26?/m01/s1

2.1.3 InChI Key

AMCLPZVIVCCLMU-ZBTQCTNHSA-N

2.1.4 Canonical SMILES

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)O.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

2.1.5 Isomeric SMILES

CCC(=O)O[C@@H](C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (r)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1r)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic Acid

2. (8a,9r)-cinchonan-9-ol Mono[[(s)-[(1r)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]ac

3. Cinchonan-9-ol, (8alpha,9r)-, Mono[[(s)-[(1r)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt) (9ci)

4. Ec 415-820-8

5. Dtxsid401334999

6. Akos015999139

7. (r-(r*,s*))-((2-methyl-1-(1-oxopropoxy)propoxy)-(4-phenylbutyl)phosphinyl) Acetic Acid, (-)-cinchonidine (1:1) Salt

8. Cs-0197912

9. (1r)-quinolin-4-yl((2s,4s,5r)-5-vinylquinuclidin-2-yl)methanol 2-(((r)-2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetate

10. (8alpha,9r)-cinchonan-9-ol Mono[[(s)-[(1r)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)

11. (r)-quinolin-4-yl((1s,2s,4s,5r)-5-vinylquinuclidin-2-yl)methanol2-(((r)-2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)aceticacid(1:1)

12. [r-(r*,s*)]-[[2-methyl-1-(1-oxopropoxy)-propoxy] (4-phenylbutyl) Phosophinyl]acetic Acid, Cinchonidine Salt

2.3 Create Date

2013-05-31

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₅₁N₂O₇P
Molecular Weight	678.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Exact Mass	678.34338897 g/mol
Monoisotopic Mass	678.34338897 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	897
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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TRANS-4-CYCLOHEXYL-L-PROLINE HCL

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CAS Number

90657-55-9

End Use API

Fosinopril

About the Company

Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is liste...

Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is listed in the class of pvtltd company and classified as Non Govt Company. This company is registered at Registrar of Companies(ROC), Hyderabad with an Authorized Share Capital of Rs. 110 CR and its paid up capital is 110 CR.

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trans-4-Cyclohexyl-L-proline

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CAS Number

103201-78-1

End Use API

Fosinopril

About the Company

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.

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