Cas no 59-99-4 (NEOSTIGMINE)
NEOSTIGMINE structure
Product Name:NEOSTIGMINE
NEOSTIGMINE Chemical and Physical Properties
Names and Identifiers
-
- NEOSTIGMINE
- [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
- NEOSTIGMINE
- (m-Hydroxyphenyl)dimethylamine dimethylcarbamate
- (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate
- 3-[[(Dimethylamino)carbonyl]oxy]-N,N,N-trimethylbenzenaminium
- Ammonium, (m-hydroxyphenyl)trimethyl-, dimethylcarbamate
- Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-
- Eustigmin
- Eustigmine
- Neostigmine (free base)
- Proserine
- Prostigmin
- Prostigmine
- Synstigmin
- Synstigmine
- Vagostigmine
- DivK1c_000165
- CCG-204900
- MLS-0002855
- CCRIS 3079
- KBio2_001541
- NCGC00015730-24
- Spectrum5_001234
- DTXCID703360
- AKOS005711366
- CAS-114-80-7
- NCGC00015730-02
- NINDS_000165
- SPBio_002515
- NCGC00015730-05
- UNII-3982TWQ96G
- HMS2089A22
- KBio2_006677
- ALWKGYPQUAPLQC-UHFFFAOYSA-N
- Intrastigmina
- DivK1c_000198
- m-Trimethylammoniumphenyldimethylcarbamate
- Prestwick3_000468
- KBio2_004109
- NEOSTIGMINE [MART.]
- NEOSTIGMINE [MI]
- SPBio_001276
- Prestwick0_000468
- 3-{[(dimethylamino)carbonyl]oxy}-N,N,N-trimethylanilinium
- IDI1_000165
- GTPL8993
- KBioGR_000623
- NCGC00015730-09
- NEOSTIGMINE [HSDB]
- NCGC00015730-08
- NCGC00021658-03
- SCHEMBL34419
- AB00053807_27
- NCGC00015730-07
- D08261
- (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate (ester)
- Neostigmine ion
- NCGC00015730-06
- Prestwick1_000468
- AB00053807_28
- InChI=1/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
- C07258
- Neostigmina
- 59-99-4
- Neostigmine cation
- CHEBI:7514
- Q410546
- KBioSS_001541
- DTXSID1023360
- Prostigmin (TN)
- BSPBio_000576
- bmse000762
- AB00053807-26
- Neostigmin
- 3-Trimethylammoniumphenyl N,N-dimethylcarbamate
- ALWKGYPQUAPLQC-UHFFFAOYSA-
- 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium
- HSDB 3921
- NS00001580
- SBI-0050793.P004
- DB01400
- IDI1_000198
- AB00053807
- Ammonium, (m-hydroxyphenyl)trimethyl-, dimethylcarbamate (ester)
- Neostigmine [BAN]
- AB00053807_29
- Neostigmine (cation)
- Lopac0_000816
- Neostigmine (BAN)
- CHEMBL278020
- [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide
- NEOSTIGMINE (MART.)
- AB00053807-25
- KBio1_000165
- Juvastigmin
- NCGC00163240-01
- BDBM50022775
- Spectrum4_000072
- Prestwick2_000468
- BPBio1_000634
- 3-((dimethylcarbamoyl)oxy)-N,N,N-trimethylbenzenaminium
- [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium; sulfonatooxymethane
- Neostigminum
- Lopac-N-2001
- Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-
- Spectrum_001061
- Spectrum2_001278
- [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium
- NCGC00015730-01
- NINDS_000198
- BRN 3615946
- NEOSTIGMINE [VANDF]
- 3982TWQ96G
- BRD-K18922609-004-14-0
- NCGC00015730-03
- Prozerin
- NCGC00015730-04
- KBio1_000198
- 3-((dimethylcarbamoyl)oxy)-N,N,N-trimethylanilinium
- BRD-K18922609-004-04-1
- BRD-K18922609-004-23-1
- STL058953
- BRD-K18922609-004-22-3
- BRD-K18922609-004-24-9
-
- Inchi： 1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
- InChI Key： ALWKGYPQUAPLQC-UHFFFAOYSA-N
- SMILES： O(C(N(C)C)=O)C1=CC=CC(=C1)[N+](C)(C)C
Computed Properties
- Exact Mass: 223.14477
- Monoisotopic Mass: 223.144652853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.0718 (rough estimate)
- Boiling Point: 364.59°C (rough estimate)
- Refractive Index: 1.4760 (estimate)
- PSA: 29.54
NEOSTIGMINE Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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