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Also known as: 1708997-42-5, Starbld0005607, Upadacitinib impurity 5, 63fma857lp, Schembl12033556, Mcbxxqjebjjffw-vwnxmtodsa-n
Molecular Formula
C29H29N5O4S
Molecular Weight
543.6  g/mol
InChI Key
MCBXXQJEBJJFFW-VWNXMTODSA-N
FDA UNII
63FMA857LP

CAS 1708997-42-5
1 2D Structure

CAS 1708997-42-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl (3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate
2.1.2 InChI
InChI=1S/C29H29N5O4S/c1-3-22-17-32(29(35)38-19-21-7-5-4-6-8-21)18-24(22)26-15-30-27-16-31-28-25(34(26)27)13-14-33(28)39(36,37)23-11-9-20(2)10-12-23/h4-16,22,24H,3,17-19H2,1-2H3/t22-,24+/m1/s1
2.1.3 InChI Key
MCBXXQJEBJJFFW-VWNXMTODSA-N
2.2 Other Identifiers
2.2.1 UNII
63FMA857LP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1708997-42-5

2. Starbld0005607

3. Upadacitinib Impurity 5

4. 63fma857lp

5. Schembl12033556

6. Mcbxxqjebjjffw-vwnxmtodsa-n

7. G87854

8. (cis)-benzyl 3-ethyl-4-(3-tosyl-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 543.6 g/mol
Molecular Formula C29H29N5O4S
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area107
Heavy Atom Count39
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothShandong Loncom is an R&D-focused manufacturer of Anti-cancer APIs.

Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2- ...

CAS Number : 1708997-42-5

End Use API :

About the Company : Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone...

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END USE APIs

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Delivering quality and niche Active Pharmaceutical Ingredients across the global from our USFDA-approved facility.

Honour Lab Limited

Honour is a leading global CDMO and specialty chemicals manufacturer with seven world-class sites delivering quality-driven solutions.

Transo-Pharm USA LLC

TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

Metrochem API Private Lim...

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

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