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Physostigmine Salicylate

CAT: 0572-TRC-P398510-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P398510-100MGSize:100 mg
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CAS Number
57-64-7
Synonyms
Physostigmine salicylate; (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate salicylate; Benzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1) (9CI); Benzoic acid, 2-hydroxy-, compd. with (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1); Physostigmine salicylate (6CI); Physostigmine, monosalicylate (8CI); Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-, mono(2-hydroxybenzoate) (salt) (9CI); Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, mono(2-hydroxybenzoate) (salt); Salicylic acid, compd. with physostigmine (1:1) (8CI); (-)-Physostigmine salicylate; Eserine salicylate; Isopto Eserine
Hazard Statement
Fatal if inhaled; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O
Molecular Formula
C15 H21 N3 O2 . C7 H6 O3
Molecular Weight
413.47
InChI
InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1
Additionnal Information
IUPAC name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(-)-Physostigmine salicylate

Physostigmine salicylate is a member of salicylates and an azaheterocycle salicylate salt. It contains a physostigmine.

CAS Number57-64-7
PubChem CID657348
IUPAC Name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid
Molecular FormulaC22H27N3O5
Molecular Weight413.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity535
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
InChI
InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1
InChIKey
HZOTZTANVBDFOF-PBCQUBLHSA-N
Chemical Structure
2D Structure
2D structure of (-)-Physostigmine salicylate
CAS: 57-64-7
CID: 657348
Formula: C22H27N3O5
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass413.19507097
Monoisotopic Mass413.19507097
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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