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CAS 1428243-28-0 manufacturers and suppliers on PharmaCompass

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CAS 1428243-28-0

CAS 1428243-28-0

Chemistry, 1 End Use API, 19 Related Intermediates

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CAS 1428243-28-0

Also known as: 1428243-28-0, Starbld0005059, Schembl1934245, Vjdvhraorkihcs-wbvhzdcisa-n

Molecular Formula

C₂₁H₂₃N₅O₂S

Molecular Weight

409.5 g/mol

InChI Key

VJDVHRAORKIHCS-WBVHZDCISA-N

1 2D Structure

CAS 1428243-28-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

2.1.2 InChI

InChI=1S/C21H23N5O2S/c1-3-15-10-22-11-17(15)19-12-23-20-13-24-21-18(26(19)20)8-9-25(21)29(27,28)16-6-4-14(2)5-7-16/h4-9,12-13,15,17,22H,3,10-11H2,1-2H3/t15-,17+/m1/s1

2.1.3 InChI Key

VJDVHRAORKIHCS-WBVHZDCISA-N

2.1.4 Canonical SMILES

CCC1CNCC1C2=CN=C3N2C4=C(N=C3)N(C=C4)S(=O)(=O)C5=CC=C(C=C5)C

2.1.5 Isomeric SMILES

CC[C@@H]1CNC[C@@H]1C2=CN=C3N2C4=C(N=C3)N(C=C4)S(=O)(=O)C5=CC=C(C=C5)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1428243-28-0

2. Starbld0005059

3. Schembl1934245

4. Vjdvhraorkihcs-wbvhzdcisa-n

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₃N₅O₂S
Molecular Weight	409.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	89.7
Heavy Atom Count	29
Formal Charge	0
Complexity	690
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	1

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Shandong Chenghui Shuangda Pharmace...

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Shuangda Pharmaceutical has a world-class first-class production line, having GMP, FDA and other regulatory certifications.

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Upadacitinib

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CAS Number

1428243-28-0

Intermediate Name

8-((3R,4S)-4-ethylpyrrolidin-3-yl)-...

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.

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