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AG003NWP

Name: Anisotropine (bromide)
Brand: Angene Chemical
SKU: AG003NWP

80-50-2 | Anisotropine (bromide)

Chemical structure of Anisotropine (bromide), CAS 80-50-2

AG003NWP

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CAS Number	80-50-2
Catalog Number	AG003NWP(AGN-PC-0UH5YM)
Chemical Name	Anisotropine (bromide)
EC Number	201-285-6
IUPAC Name	[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide
InChI	InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16?;
InChI Key	QSFKGMJOKUZAJM-JXMYBXCISA-M
MDL Number	MFCD00083234
Molecular Formula	C17H32BrNO2
Molecular Weight	362.3455
RTECS Number	YM3710000
SMILES	C[N+]1(C)[C@@H]2C[C@@H](OC(C(CCC)CCC)=O)C[C@H]1CC2.[Br-]
UNII	62M960DHIL
Synonyms	anisotropine methylbromide, anisotropine methylbromide, (endo)-isomer, octatropine, octotropine methylbromide, Valpin, ANISOTROPINE METHYLBROMIDE, Endovalpin, Lytispasm, 80-50-2, Valpin 50, methyloctatropine bromide, Octatropine methylbromide, UNII-62M960DHIL, Octatropine, Anisotropine methobromide, MLS000028664, MLS001146935, 62M960DHIL, Octatropini methylbromidum, Octatropine methylbromide (INN), Methylbromure d'octatropine, Metilbromuro de octatropina, SMR000058851, DSSTox_CID_2612, 2-Propylpentanoyltropinium methylbromide, DSSTox_RID_76659, DSSTox_GSID_22612, Methylbromure d'octatropine [INN-French], 8-Methyltropinium bromide 2-propylvalerate, Metilbromuro de octatropina [INN-Spanish], 8-Methyltropinium bromide 2-propylpentanoate, Octatropine methylbromide [INN], HSDB 3010, 8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide, EINECS 201-285-6, Octatropini methylbromidum [INN-Latin], CAS-80-50-2, Octatropone Bromide, Valpin (TN), 1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate, 3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 2-propylvalerate, 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide 2-propylvalerate, endo-8,8-Dimethyl-3-((1-oxo-2-propylpentyl)oxy)-8-azoniabicyclo(3.2.1)octane bromide, Valpin 50 (TN), NCGC00021394-03, NCGC00021394-04, C17H32NO2.Br, Methyloctatropine bromide (JAN), 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo-, Anisotropine methylbromide (USAN), Anisotropine methylbromide [USAN:INN:JAN], Opera_ID_1463, AC1LCW69, CHEMBL1578, MLS006010788, SCHEMBL250226, SCHEMBL1650394, DTXSID8022612, REGID_for_CID_657201, 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate, HMS2230N16, Tox21_110871, Tox21_113475, 2217AH, AKOS015916559, (3-endo)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide, [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide, SMR004701473, MLS-0002939.P022, FT-0772217, C06830, D00232, I14-51830, (1R,3r,5S)-8,8-dimethyl-3-(2-propylpentanoyloxy)-8-azoniabicyclo[3.2.1]octane bromide, (3S)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide, [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide, (1R,3R,5S)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide, Valpin, Anisotropine, Endovalpin (TN), Lytispasm (TN), Methyl anisotropinium, Anisotropine methyl bromide, Octotropine methylbromide, UNII-MJJ5G1G8OM, D07CNL, UNII-704G17JK68, C17-H32-N-O2.Br, C17H32NO2, Anisotropine methylbromide [USAN:JAN], C17-H32-N-O2, CID657201, Octatropinimethylbromidum [INN-Latin], anisotropine methylbromide, (endo)-isomer, 8-Azoniabicyclo[3.2.1]octane,8,8-dimethyl-3-[ oxy]-,endo-, 70642-90-9, (1r,5r)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide, (3-endo)-8,8-Dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide, [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide, 1-alpha-H,5-alpha-H-Tropanium,3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate, 3-alpha-hydroxy-8-methyl-1-alpha H,5-alpha H-tropanium bromide 2-propylvalerate, 8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide, 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, endo-,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	361.162g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	362.352g/mol
Monoisotopic Mass	361.162g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

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Angene International Limited

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