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| CAS Number | 57-47-6 |
| Catalog Number | AG00E9IO(AGN-PC-0SNTBT) |
| Chemical Name | Physostigmine |
| EC Number | 200-332-8 |
| IUPAC Name | [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate |
| InChI | InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 |
| InChI Key | PIJVFDBKTWXHHD-HIFRSBDPSA-N |
| MDL Number | MFCD00151090 |
| Molecular Formula | C15H21N3O2 |
| Molecular Weight | 275.3461 |
| NSC Number | 30782 |
| RTECS Number | TJ2100000 |
| SMILES | C[C@]12C=3C(N(C)[C@]1(N(C)CC2)[H])=CC=C(OC(NC)=O)C3 |
| UNII | 9U1VM840SP |
| Synonyms | Eserine,
Physostigmine,
physostigmine,
Eserine,
Antilirium,
57-47-6,
Esromiotin,
Physostol,
Ezerin,
Calabarine,
Erserine,
Fysostigmin,
(-)-physostigmine,
Fysostigmin [Czech],
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate,
Eserolein, methylcarbamate (ester),
UNII-9U1VM840SP,
Eserine sulfate,
CCRIS 3422,
HSDB 3161,
MCV 4484,
CHEMBL94,
EINECS 200-332-8,
Eserolein, methylcarbamate,
NIH 10421,
NSC 30782,
RCRA waste no. P204,
CS 58525,
Methyl-carbamic acid, ester with eseroline,
9U1VM840SP,
Carbamic acid, methyl-, ester with eseroline,
CHEBI:27953,
NSC30782,
NCGC00093889-03,
DSSTox_CID_3471,
1,2,3,3abeta,8abeta-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)-indol-5-yl methylcarbamate,
DSSTox_RID_77040,
DSSTox_GSID_23471,
(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-ol methylcarbamate (ester),
CHEMBL537674,
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-,
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate,
CAS-57-47-6,
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-,
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis),
Physostigmine [USP:BAN],
Physostigmine [USAN:BAN],
(-) physostigmine,
Eserine (TN),
Physostigmine (USP),
Spectrum_000916,
Spectrum_001789,
SpecPlus_000381,
AC1L1LJL,
Prestwick0_000566,
Prestwick1_000566,
Prestwick2_000566,
Prestwick3_000566,
Spectrum2_000330,
Spectrum2_000757,
Spectrum2_001283,
Spectrum3_000545,
Spectrum3_000901,
Spectrum4_000997,
Spectrum4_001631,
Spectrum4_001913,
Spectrum5_000441,
Spectrum5_000626,
Spectrum5_001672,
physostigmine.salicylic acid,
Lopac0_000483,
SCHEMBL24044,
BSPBio_000352,
BSPBio_002189,
KBioGR_001433,
KBioGR_002061,
KBioGR_002533,
KBioSS_001396,
KBioSS_002279,
MLS001304022,
DivK1c_006477,
SPECTRUM1500753,
SPBio_000339,
SPBio_000774,
SPBio_001285,
SPBio_002571,
BPBio1_000388,
cid_657348,
GTPL6598,
MEGxp0_001872,
DTXSID3023471,
ACon1_000097,
BDBM11023,
KBio1_001421,
KBio2_001396,
KBio2_002278,
KBio2_003964,
KBio2_004846,
KBio2_006532,
KBio2_007414,
KBio3_001689,
KBio3_001842,
Eserine, >=98.0% (N),
PIJVFDBKTWXHHD-HIFRSBDPSA-N,
HMS1921G06,
HMS2089M11,
HMS2236L08,
HMS3261B07,
BCP19735,
Carbamic acid, ester with eseroline,
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-,
Tox21_111228,
Tox21_301591,
Tox21_500483,
BDBM50004000,
BDBM50222010,
CCG-38605,
MFCD00151090,
NSC-30782,
ZINC91689892,
Tox21_111228_1,
API0003840,
DB00981,
LP00483,
MCULE-2638001883,
MCULE-9310809074,
RP29728,
SDCCGMLS-0066585.P001,
NCGC00093889-01,
NCGC00093889-02,
NCGC00093889-04,
NCGC00093889-05,
NCGC00093889-06,
NCGC00093889-07,
NCGC00093889-08,
NCGC00093889-09,
NCGC00093889-10,
NCGC00093889-12,
NCGC00093889-13,
NCGC00255345-01,
NCGC00261168-01,
AC-15983,
AJ-86526,
SMR000718753,
SBI-0050467.P004,
AX8147965,
LS-109562,
EU-0100483,
P0406,
C06535,
D00196,
E 8375,
SR-01000075341-1,
WLN: T B556 EN GNTT&J B1 E1 G1 KOVM1,
BRD-K25650355-001-02-5,
BRD-K25650355-059-02-3,
BRD-K25650355-059-12-2,
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate hydrochloride,
(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate,
(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid,
Pyrrolo[2, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-,
cogmine,
Xalieve,
Isopto Eserine,
Eserine salicylate,
Physostigmine salicylate,
Eserine hemisulfate salt,
ESERINE HEMISULFATE,
D09JVV,
C15H21N3O2,
CID5983,
C15-H21-N3-O2,
CS-O-11713,
Physostigmine (buccal, xerostomia), Calabar,
Physostigmine (local acting gel, xerostomia),
D010830,
SR-01000075341,
Acetylcholinesterase inhibitor (dry mouth), Calabar,
Physostigmine (local acting gel, xerostomia), Calabar,
(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ylmethylcarbamate,
(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-ol methylcarba-mate (ester),
Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-,
Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.352g/mol |
| Monoisotopic Mass | 275.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H300-H330-H300+H330 |
| Packing Group | Ⅰ |
| Precautionary statements | P301+P310a-P304+P340-P320-P330-P405-P501a-P260-P284-P301+P310+P330-P304+P340+P310-P403+P233 |
| UN Code | UN 1544 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

