CS-0534207

(1R,3r,5S,8r)-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide IpratropiumImpurity

Manufacturer: ChemScene

CAS Number: 58073-59-9

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Purity

98%

MDL No

MFCD25977184

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₂₀H₃₀BrNO₃

Molecular Weight

412.36

Synonyms

(endo,anti)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide

SMILES

CC([N@+]1([C@H]2C[C@@H](C[C@@H]1CC2)OC(C(C3=CC=CC=C3)CO)=O)C)C.[Br-]

Tpsa

46.53

Logp

-0.1419

H Acceptors

3

H Donors

1

Rotatable Bonds

5

SAFETY INFORMATION

ghsPictogramUrl

https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302

Precautionary Statements

P264-P270-P330-P501

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ChemScene

CS-0534207

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Purity:
98%

MDL No:
MFCD25977184

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₀H₃₀BrNO₃

Molecular Weight:
412.36

Synonyms:
(endo,anti)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide

SMILES:
CC([N@+]1([C@H]2C[C@@H](C[C@@H]1CC2)OC(C(C3=CC=CC=C3)CO)=O)C)C.[Br-]

Tpsa:
46.53

Logp:
-0.1419

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
5

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ChemScene

CS-0534209

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₃H₁₉BN₂O₃

Molecular Weight:
262.11

Synonyms:
None

SMILES:
O=C1NCCC2=C1C=C(B3OC(C)(C(C)(C)O3)C)N2

Tpsa:
63.35

Logp:
0.5998

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
1

Img

ChemScene

CS-0534210

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₀H₂₈BrNO₂

Molecular Weight:
394.35

Synonyms:
IpratropiuM BroMide IMpurity F (Mixture of DiastereoMers)

SMILES:
CC([N+]1(C2CC(CC1CC2)OC(C(C3=CC=CC=C3)=C)=O)C)C.[Br-]

Tpsa:
26.3

Logp:
0.7954

H Acceptors:
2

H Donors:
0

Rotatable Bonds:
4

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ChemScene

CS-0534212

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₄H₂₁NO₅

Molecular Weight:
283.32

Synonyms:
None

SMILES:
O=C(N1C(CC(C2(CCOCC2)C1)=O)=O)OC(C)(C)C

Tpsa:
72.91

Logp:
1.5197

H Acceptors:
5

H Donors:
0

Rotatable Bonds:
0