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| CAS Number | 76-90-4 |
| Catalog Number | AG003RGY(AGN-PC-0000OC) |
| Chemical Name | Mepenzolate bromide |
| EC Number | 200-992-7 |
| IUPAC Name | (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide |
| InChI | InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | JRRNZNSGDSFFIR-UHFFFAOYSA-M |
| MDL Number | MFCD00079450 |
| Molecular Formula | C21H26BrNO3 |
| Molecular Weight | 420.3400 |
| SMILES | [Br-].OC(C(=O)OC1C[N+](CCC1)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | Cantil,
mepenzolate,
mepenzolate bromide,
mepenzolate bromide, (+-)-isomer,
mepenzolate iodide,
mepenzolic acid,
mepenzolic acid, bromine salt,
mepenzolic acid, bromine salt, 1-(methyl-(14)C)-labeled,
N-methyl-3-piperidylbenzilate methyl bromide,
MEPENZOLATE BROMIDE,
Cantil,
76-90-4,
Cantilaque,
Colibantil,
Gastropidil,
Cantilon,
Colopiril,
Delevil,
Eftoron,
Tralanta,
Trancolon,
Colum,
Trokonil,
Mepenzolate (Bromide),
JB 340,
Mepenzolati bromidum [INN-Latin],
N-Methyl-3-piperidyl benzilate methobromide,
Bromure de mepenzolate [INN-French],
N-Methyl-3-piperidyl benzilate methyl bromide,
Bromuro de mepenzolato [INN-Spanish],
Glycophenylate,
Cantril,
N-Methyl-3-piperidyldiphenylglycolate methobromide,
3-Hydroxy-1,1-dimethylpiperidinium bromide benzilate,
3-(2-Hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpiperidin-1-ium bromide,
Benzilic acid, 1-methyl-3-piperidyl ester methobromide,
1-Methyl-3-piperidyl benzilate methylbromide,
NSC 4358,
EINECS 200-992-7,
3-((Hydroxydiphenylacetyl)oxy)-1,1-dimethylpiperidinium bromide,
Benzilic acid, ester with 3-hydroxy-1,1-dimethylpiperidinium bromide,
Piperidinium, 3-hydroxy-1,1-dimethyl-, bromide, benzilate,
DSSTox_CID_3252,
Piperidinium, 3-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl-, bromide,
Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-, bromide,
DSSTox_RID_76941,
DSSTox_GSID_23252,
Mepenzolati bromidum,
Bromure de mepenzolate,
Bromuro de mepenzolato,
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide,
C21H26NO3,
Mepenzolone Bromide,
SMR000058832,
Cantil (TN),
Mepenzolate Methylbromide,
SR-01000765452,
Mepenzolate bromide [INN:BAN:JAN],
mepenzolic acid, bromine salt,
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide,
Prestwick_100,
Mepenzolate bromide [USP:INN:BAN:JAN],
AC1L1MKX,
CAS-76-90-4,
NCGC00016314-01,
AC1Q1R9F,
C21H26BrNO3,
CHEMBL1724,
SCHEMBL99030,
MLS001076678,
MLS002222165,
SPECTRUM1500383,
CHEBI:6753,
DTXSID4023252,
HMS501P18,
NSC4358,
Mepenzolate bromide (JP17/INN),
HMS1570C07,
HMS1920L05,
HMS2091B18,
HMS2097C07,
HMS2231P11,
HMS3259O19,
HMS3369A20,
HMS3714C07,
Pharmakon1600-01500383,
Piperidinium,1-dimethyl-, bromide,
3-{[hydroxy(diphenyl)acetyl]oxy}-1,1-dimethylpiperidinium bromide,
NSC-4358,
Tox21_110367,
1988AC,
CCG-40131,
NSC757099,
AKOS015962135,
Tox21_110367_1,
AN-6437,
API0000641,
CS-3578,
NC00518,
NSC-757099,
KS-0000119J,
NCGC00094716-01,
NCGC00094716-02,
NCGC00178896-05,
WLN: T6KTJ A1 A1 COVXQR&R &E,
AC-15989,
AK116470,
CPD000058832,
HY-17585,
SAM002554910,
AX8137418,
Benzilic acid,1-dimethylpiperidinium bromide,
LS-116643,
FT-0671006,
Piperidinium,1-dimethyl-, bromide, benzilate,
D00720,
SR-01000765452-2,
SR-01000765452-3,
3-(2-hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpiperidinium bromide,
3-[(Hydroxy-diphenylacetyl)oxy]-1,1-dimethylpiperidinium Bromide,
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide,
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate,bromide,
mepenzolate,
Mepenzolon,
Mepenzolic acid,
UNII-APX8D32IX1,
D0FV3V,
APX8D32IX1,
C21-H26-N-O3.Br,
CID6461,
Mepenzolate bromide (JP15/INN),
Mepenzolate bromide [USP:BAN:INN:JAN],
1-Methyl-3-piperidyl benzilate methyl bromide,
N-methyl-3-piperidylbenzilate methyl bromide,
Piperidinium, 3-hydroxy-1,1-dimethyl-, benzilate (ester),
(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate,
Piperidinium, 3-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl-(VAN),
Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-,bromide,
2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenylethanolate,
2-[(1,1-dimethylpiperidinium-3-yl)oxy]-2-oxo-1,1-diphenylethanolate,
3-[(2-Hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidinium bromide (1:1),
25990-43-6,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.347g/mol |
| Monoisotopic Mass | 419.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H312-H332 |
| Packing Group | |
| Precautionary statements | P280 |
| Signal Words | warning |
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