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| CAS Number | 114-80-7 |
| Catalog Number | AG003SYZ(AGN-PC-0P6SQA) |
| Chemical Name | Neostigmine Bromide |
| EC Number | 204-054-8 |
| IUPAC Name | [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide |
| InChI | InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1 |
| InChI Key | LULNWZDBKTWDGK-UHFFFAOYSA-M |
| MDL Number | MFCD00011795 |
| Molecular Formula | C12H19BrN2O2 |
| Molecular Weight | 303.1955 |
| NSC Number | 757233 |
| RTECS Number | BR3150000 |
| SMILES | [Br-].O(C(=O)N(C)C)c1cc([N+](C)(C)C)ccc1 |
| UNII | 005SYP50G5 |
| Synonyms | Bromide, Neostigmine,
Methylsulfate, Neostigmine,
Neostigmine,
Neostigmine Bromide,
Neostigmine Methylsulfate,
Polstigmine,
Proserine,
Prostigmin,
Prostigmine,
Prozerin,
Synstigmin,
Syntostigmine,
neostigmine bromide,
114-80-7,
Eustigmin bromide,
Neoserine bromide,
Prostigmin,
neo-Proserin,
Proserine bromide,
Stigmanol bromide,
Synstigmin bromide,
Leostigmine bromide,
Kirkstigmine bromide,
Philostigmin bromide,
Vagostigmin,
Stigmosan bromide,
Prostigmin bromide,
Neostigmine methyl bromide,
Prostigmine bromide,
Neostigmini bromidum,
Synstigmini bromidum,
Syntostigmin bromide,
Vagostigmine bromide,
3-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylbenzenaminium bromide,
Syntostigmine bromide,
Synthostigmine bromide,
Syntostigmin (tablet),
Bromure de neostigmine,
Bromuro de neostigmina,
Neostigmine (Bromide),
Neostigmina bromuro [DCIT],
Prostigmine,
UNII-005SYP50G5,
Neostigmini bromidum [INN-Latin],
3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide,
EINECS 204-054-8,
Bromure de neostigmine [INN-French],
Bromuro de neostigmina [INN-Spanish],
3-Dimethylcarbamoxyphenyl trimethyl ammonium bromide,
MLS000028387,
(m-Hydroxyphenyl)trimethylammonium bromide dimethylcarbamate,
3-Hydroxyphenyltrimethylammonium bromide dimethylcarbamic ester,
CHEBI:179557,
005SYP50G5,
MFCD00011795,
AK162162,
SMR000058591,
Carbamic acid, dimethyl-, ester with (m-hydroxyphenyl)trimethylammonium bromide,
DSSTox_CID_21075,
DSSTox_RID_79621,
DSSTox_GSID_41075,
W-108598,
3-(Dimethylcarbamoyloxy)trimethylanilinium ion Bromatum,
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide,
Synstigminbromid,
3-(N,N-Dimethylcarbamoyloxy)-N,N,N,-trimethylanilinium bromide,
3-[[(Dimethylamino)carbonyl]oxy]-N,N,N-trimethylbenzenaminium bromide,
AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, BROMIDE, DIMETHYLCARBAMATE,
Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, bromide,
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide,
Neostigmina bromuro,
SR-01000000073,
NCGC00163240-01,
CAS-114-80-7,
stigmanolbromide,
stigmosanbromide,
Neo proserine,
C12H19N2O2.Br,
synstigminbromide,
syntostigminbromide,
vagostigminebromide,
syntostigminebromide,
Vagostigmin (TN),
synthostigminebromide,
Prestwick_352,
syntostigmin(tablet),
Neostigmine bromide [INN:BAN:JAN],
Prostigmin;Vagostigmin,
Neostigmine bromide [USP:INN:BAN:JAN],
AC1L1QKY,
Opera_ID_1504,
NEOSTIGIMINE BROMIDE,
AC1Q1RH0,
SCHEMBL41128,
MLS001146913,
CHEMBL54126,
SPECTRUM1500428,
Neostigmine-bromide(Prostigmin),
DTXSID9041075,
Neostigmine bromide (Prostigmin),
HMS500I07,
KS-00000YWF,
HMS1569M18,
HMS1920P15,
HMS2091H18,
HMS2096M18,
HMS2235J11,
HMS3262D13,
HMS3372E02,
HMS3713M18,
Pharmakon1600-01500428,
Eustigmin bromide;Neoserine bromide,
ACT05638,
HY-B0423,
Neostigmine bromide (JAN/USP/INN),
Tox21_112037,
Tox21_500816,
AN-333,
BG0265,
CCG-39110,
GK7491,
NSC757233,
s2490,
AKOS015895725,
Tox21_112037_1,
API0003538,
CS-2529,
LP00816,
MCULE-9726153183,
NSC-757233,
NCGC00015730-11,
NCGC00094149-01,
NCGC00094149-02,
NCGC00094149-03,
NCGC00094149-04,
NCGC00261501-01,
LS-18446,
Q562,
SC-19050,
MLS-0002855.P042,
AB0004770,
AB2000595,
AX8144170,
EU-0100816,
FT-0083763,
FT-0651572,
N0358,
ST24041334,
ST50411544,
C08197,
D00995,
N 2001,
A803245,
SR-01000000073-3,
SR-01000000073-5,
SR-01000000073-7,
(3-Dimethylcarbamoyloxyphenyl)trimethylammonium Bromide,
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide,
(m-Hydroxyphenyl)trimethyl-ammonium bromide dimethylcarbamate,
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium bromide,
N,N-dimethyl[3-(trimethylamino)phenoxy]carboxamide, bromide,
Neostigmine bromide, >=98% (HPLC and titration), powder,
(3-Hydroxyphenyl)trimethylammonium Bromide Dimethyl Carbamate,
[3-[dimethylamino(oxo)methoxy]phenyl]-trimethylammonium bromide,
Neostigmine bromide, European Pharmacopoeia (EP) Reference Standard,
Neostigmine bromide, United States Pharmacopeia (USP) Reference Standard,
bromide,
NEOSTIGMINE,
RCRA waste number U053,
C12H19BrN2O2,
CID8246,
C12-H19-N2-O2.Br,
Neostigmine bromide [BAN:INN:JAN],
AR-1F0755,
B1594,
A10635,
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide,
Neostigmine bromide, 98%, a reversible acetylcholinesterase inhibitor - 1G 1g,
61-70-1,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.2g/mol |
| Monoisotopic Mass | 302.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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