CAS 1628836-08-7

Chemistry, 3 End Use API, 7 Related Intermediates

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Also known as: 1628836-08-7

Molecular Formula

C₁₈H₁₉ClN₂O₃

Molecular Weight

346.8 g/mol

InChI Key

DQQDOIRBXSOVJT-JAXOOIEVSA-N

1 2D Structure

CAS 1628836-08-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-2-amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C18H18N2O3.ClH/c19-17(18(21)15-7-2-1-3-8-15)9-5-4-6-14-10-12-16(13-11-14)20(22)23;/h1-3,7-8,10-13,17-18,21H,5,9,19H2;1H/t17-,18-;/m1./s1

2.1.3 InChI Key

DQQDOIRBXSOVJT-JAXOOIEVSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(C(CCC#CC2=CC=C(C=C2)[N+](=O)[O-])N)O.Cl

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@@H](CCC#CC2=CC=C(C=C2)[N+](=O)[O-])N)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1628836-08-7

2.3 Create Date

2014-12-31

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉ClN₂O₃
Molecular Weight	346.8 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	92.1
Heavy Atom Count	24
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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JieJie Group

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(1R,2R)-2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol...

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CAS Number

1628836-08-7

End Use API

JieJie Group Co., Ltd. is a pharmaceutical and chemical enterprise for research and production, it was bu...

JieJie Group Co., Ltd. is a pharmaceutical and chemical enterprise for research and production, it was built in 2009. Our core business is custom synthesis and contract manufacturing for advanced and bulk APIs, Pharmaceutical intermediates, water-soluble polymers, and special chemicals, from gram to multi tons scale. The company's aim is to be one of the reliable enterprises with the fastest development in the medicine industry in China and to become an impactive medicine enterprise entering the international authority market in the world.

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Jinan Shangbo Pharmaceutical

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CAS Number

1628836-08-7

End Use API

Vibegron

About the Company

Jinan Shangbo Pharmaceutical Co., Ltd is a high-tech enterprise that specializes in the R&D, production, ...

Jinan Shangbo Pharmaceutical Co., Ltd is a high-tech enterprise that specializes in the R&D, production, and sales of pharmaceutical intermediates and fine chemicals, which was founded by Jinan Shengquan Group Share-holding Co., Ltd, and Biosynth Limited UK in 2011. Keeping up with the industrial development trend, Shangbo Pharm can provide all-directional services that from laboratory-level molecular design, synthesis, supply to customized synthesis, process development and commercial production of the crucial intermediates.

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Porton Pharma Solutions

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(1R,2R)-2-amino-6-(4-nitrophenyl)-1-phenylhex-5- yn-1-o...

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CAS Number

1628836-08-7

End Use API

Vibegron

About the Company

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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