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Chemistry

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Also known as: 1628106-94-4, Sofpironium (bromide), Bbi-4000, Sofpironium bromide [usan], 7b2y1932xu, (3r)-3-((r)-2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium bromide
Molecular Formula
C22H32BrNO5
Molecular Weight
470.4  g/mol
InChI Key
FIAFMTCUJCWADZ-JOFREBOKSA-M
FDA UNII
7B2Y1932XU

Sofpironium Bromide
1 2D Structure

Sofpironium Bromide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(3R)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
2.1.2 InChI
InChI=1S/C22H32NO5.BrH/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3;1H/q+1;/p-1/t19-,22+,23?;/m1./s1
2.1.3 InChI Key
FIAFMTCUJCWADZ-JOFREBOKSA-M
2.1.4 Canonical SMILES
CCOC(=O)C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
2.1.5 Isomeric SMILES
CCOC(=O)C[N+]1(CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
2.2 Other Identifiers
2.2.1 UNII
7B2Y1932XU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1628106-94-4

2. Sofpironium (bromide)

3. Bbi-4000

4. Sofpironium Bromide [usan]

5. 7b2y1932xu

6. (3r)-3-((r)-2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium Bromide

7. Pyrrolidinium, 3-(((2r)-2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1-(2-ethoxy-2-oxoethyl)-1-methyl-, Bromide (1:1), (3r)-

8. Starbld0007908

9. Unii-7b2y1932xu

10. Chembl3707223

11. Schembl20995843

12. Sofpironium Bromide [inn]

13. Sofpironium Bromide [jan]

14. Ex-a5238

15. Sofpironium Bromide [who-dd]

16. Sofpironium Bromide (jan/usan/inn)

17. Hy-109013

18. Cs-0030511

19. D10989

20. Q27268000

21. 1-ambo-(3r)-3-(((r)-(cyclopentyl)hydroxy(phenyl) Acetyl)oxy)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidinium Bromide Anticholinergic

2.4 Create Date
2014-12-31
3 Chemical and Physical Properties
Molecular Weight 470.4 g/mol
Molecular Formula C22H32BrNO5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass469.14639 g/mol
Monoisotopic Mass469.14639 g/mol
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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01

Kaken Pharmaceuticals

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Medlab Asia & Asia Health
Not Confirmed
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Kaken Pharmaceuticals

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Medlab Asia & Asia Health
Not Confirmed
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CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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02

Harman Finochem

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Medlab Asia & Asia Health
Not Confirmed
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