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2050038-84-9

Chemistry, 1 End Use API, 28 Related Intermediates

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Also known as: 2050038-84-9, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine dihydrochloride, 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride, 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2), Amy16529, Db-156747

Molecular Formula

C₁₄H₁₉Cl₂N₅

Molecular Weight

328.2 g/mol

InChI Key

LKVHWZCFMAQTFX-NKRBYZSKSA-N

1 2D Structure

2050038-84-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C14H17N5.2ClH/c1-2-9-5-15-6-10(9)12-7-17-13-8-18-14-11(19(12)13)3-4-16-14;;/h3-4,7-10,15-16H,2,5-6H2,1H3;2*1H/t9-,10+;;/m1../s1

2.1.3 InChI Key

LKVHWZCFMAQTFX-NKRBYZSKSA-N

2.1.4 Canonical SMILES

CCC1CNCC1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl

2.1.5 Isomeric SMILES

CC[C@@H]1CNC[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2050038-84-9

2. 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine Dihydrochloride

3. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride

4. 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, Hydrochloride (1:2)

5. Amy16529

6. Db-156747

7. 8-((3r,4s)-4-ethyl-3-pyrrolidinyl)-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine 2hcl

8. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetraazatricyclo[7.3.0.0,dodeca-2(6),3,7,9,11-pentaene Dihydrochloride

2.3 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉Cl₂N₅
Molecular Weight	328.2 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58
Heavy Atom Count	21
Formal Charge	0
Complexity	336
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	3

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ASolution Pharmaceuticals

ASolution Pharmaceuticals: Your Partner for cGMP Development & Manufacturing Services – Supplying APIs, FDFs, and Specialty Molecules.

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India

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Trimethylsulfoxonium Chloride

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CAS Number

5034-06-0

End Use API

Upadacitinib

About the Company

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, reg...

Since 2010, our dedication to our clientele has been unwavering in addressing pharmaceutical hurdles, regardless of scale. We prioritize integrity, responsiveness, and punctuality, embedding our values into every endeavor. Our aim is to cultivate mutually beneficial relationships with customers, suppliers, and ourselves, fostering sustainable growth. Empowered by visionary leadership and a quality-driven team, ASolution is steadfast in providing innovative solutions to challenges such as Process Development, Optimization, Drug Product and Substance Manufacturing, and more.