Zhejiang Hengkang Pharmaceutical

CAS 2346620-55-9

Chemistry, 5 End Use API, 74 Related Intermediates

Manufacturers/Suppliers

5 Suppliers

5 Suppliers

Also known as: ((3ar,4r,6r,6ar)-6-((e)-4-(hydroxyimino)-2-oxotetrahydropyrimidin-1(2h)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate

Molecular Formula

C₁₆H₂₅N₃O₇

Molecular Weight

371.39 g/mol

InChI Key

PTOXFRUJQSZZMV-OJAKKHQRSA-N

1 2D Structure

CAS 2346620-55-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3aR,4R,6R,6aR)-4-[(4E)-4-hydroxyimino-2-oxo-1,3-diazinan-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate

2.1.2 InChI

InChI=1S/C16H25N3O7/c1-8(2)14(20)23-7-9-11-12(26-16(3,4)25-11)13(24-9)19-6-5-10(18-22)17-15(19)21/h8-9,11-13,22H,5-7H2,1-4H3,(H,17,18,21)/t9-,11-,12-,13-/m1/s1

2.1.3 InChI Key

PTOXFRUJQSZZMV-OJAKKHQRSA-N

2.1.4 Canonical SMILES

CC(C)C(=O)OCC1C2C(C(O1)N3CCC(=NO)NC3=O)OC(O2)(C)C

2.1.5 Isomeric SMILES

CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3CC/C(=N\O)/NC3=O)OC(O2)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. ((3ar,4r,6r,6ar)-6-((e)-4-(hydroxyimino)-2-oxotetrahydropyrimidin-1(2h)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl Isobutyrate

2.3 Create Date

2021-09-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₅N₃O₇
Molecular Weight	371.39 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	371.16925015 g/mol
Monoisotopic Mass	371.16925015 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Zhejiang Hengkang Pharm Group is a dynamic pharmaceutical entity, spanning drug research, large-scale production, and global marketing.

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China

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Digital Content

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

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CAS Number

3680-69-1

End Use API

Tofacitinib Citrate

About the Company

Established in 2004 and headquartered in Hangzhou, Hengkang established multiple factories, research and ...

Established in 2004 and headquartered in Hangzhou, Hengkang established multiple factories, research and sales centers in Zhejiang, Shandong, and Henan. With facilities conforming to global API standards, along with professional R&D and marketing teams, Hengkang’s operations span major pharmaceutical markets such as China, Europe, the CIS region, Japan, and South Korea. Hengkang has established long-term and stable relationships with nearly 70 countries overseas and hundreds of domestic enterprises.